A0A3Q0KQ26_SCHMA Loading...

Putative arf gtpase-activating protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 452 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.8Confident95.4Very high173 Ų17378.2 Ų78.285%0.85237%0.367SS*.  01470-62.8-177.380.300109.1N63 M64 D65M1-N63 CarbonylContact C-O 3.55Å; M1-N63 VanDerWaalsContact CA-O 3.3Å; M1-N63 WeakPolarHBondContact CA-O 3.18Å; M1-M64 WeakPolarHBondContact CA-O 3.45Å; M1-M64 PolarHBondContact N-O 3.23Å; M1-D65 CarbonylContact C-O 3.48Å; M1-D65 WeakPolarHBondContact CA-O 3.35Å
2A93.7Very high95.5Very high7 Ų779 Ų796%0.05838%0.376CS..  trans-78.2142.2-175.600000111.6T6 R7 I62 N63 D65A2-T6 HydrophobicContact CB-CG2 3.94Å; A2-R7 HydrophobicContact CB-CG 3.86Å; A2-I62 WeakPolarHBondContact CB-O 3.27Å; A2-N63 PolarHBondContact N-O 3.15Å; A2-D65 WeakPolarHBondContact CA-O 3.39Å; A2-D65 PolarHBondContact N-O 2.78Å
3S95.6Very high95.6Very high49 Ų4974.6 Ų74.634%0.34336%0.357SS..  trans-66.1159.5179.783.70000111.7R5 T6 R7S3-R5 PolarHBondContact O-N 2.99Å; S3-R5 PolarHBondContact OG-N 3.49Å; S3-T6 WeakPolarHBondContact O-CB 3.27Å; S3-T6 PolarHBondContact O-N 3.05Å; S3-T6 WeakPolarHBondContact OG-CB 3.05Å; S3-T6 PolarHBondContact OG-N 3.47Å; S3-T6 PolarHBondContact OG-OG1 2.9Å; S3-R7 PolarHBondContact O-N 2.63Å
4P95.9Very high95.7Very high78 Ų7870.6 Ų70.651%0.50634%0.337SS..Hα-helixtrans-58.5-31.5172.5-25.235.5000113.9R8P4-R8 WeakPolarHBondContact O-CG 3.19Å; P4-R8 PolarHBondContact O-N 3.28Å
5R96.1Very high95.7Very high147 Ų14776.1 Ų76.156%0.55536%0.359SS*.Hα-helixtrans-65.6-53.9171.4169179166.6151.9-2.1110.6S3 R7 R8 V9 E69S3-R5 PolarHBondContact O-N 2.99Å; S3-R5 PolarHBondContact OG-N 3.49Å; R5-R7 VanDerWaalsContact C-N 3.29Å; R5-R7 PolarHBondContact O-N 3.48Å; R5-R8 PolarHBondContact O-N 3.49Å; R5-R8 VanDerWaalsContact O-N 3.13Å; R5-V9 PolarHBondContact O-N 3.07Å; R5-E69 IonicContact CZ-OE1 2.8Å; R5-E69 IonicContact CZ-OE2 2.86Å; R5-E69 IonicContact NE-OE1 3.54Å; R5-E69 IonicContact NE-OE2 2.65Å; R5-E69 VanDerWaalsContact NH2-CD 3.28Å; R5-E69 IonicContact NH2-OE1 2.68Å; R5-E69 PolarHBondContact NH2-OE1 2.65Å; R5-E69 IonicContact NH2-OE2 3.52Å
6T97.1Very high95.5Very high10 Ų1074.4 Ų74.46%0.06136%0.362CS..Hα-helixtrans-51.7-47.5179.2-51.20000111.4A2 S3 R8 V9 L10 W67 L72A2-T6 HydrophobicContact CB-CG2 3.94Å; S3-T6 WeakPolarHBondContact O-CB 3.27Å; S3-T6 PolarHBondContact O-N 3.05Å; S3-T6 WeakPolarHBondContact OG-CB 3.05Å; S3-T6 PolarHBondContact OG-N 3.47Å; S3-T6 PolarHBondContact OG-OG1 2.9Å; T6-R8 PolarHBondContact O-N 3.01Å; T6-V9 PolarHBondContact O-N 3.22Å; T6-L10 HydrophobicContact CG2-CD1 3.92Å; T6-L10 WeakPolarHBondContact O-CG 3.3Å; T6-L10 PolarHBondContact O-N 3.38Å; T6-W67 HydrophobicContact CG2-CB 3.56Å; T6-W67 HydrophobicContact CG2-CD2 4.35Å; T6-W67 HydrophobicContact CG2-CG 3.59Å; T6-L72 HydrophobicContact CG2-CD1 4.3Å; T6-L72 HydrophobicContact CG2-CD2 3.95Å; T6-L72 HydrophobicContact CG2-CG 4.5Å
7R96Very high95.4Very high117 Ų11771.3 Ų71.344%0.44235%0.347SS..Hα-helixtrans-64.3-38.6-179.3-74.8-171.3-75.4149.5-2.9113A2 S3 R5 M11A2-R7 HydrophobicContact CB-CG 3.86Å; S3-R7 PolarHBondContact O-N 2.63Å; R5-R7 VanDerWaalsContact C-N 3.29Å; R5-R7 PolarHBondContact O-N 3.48Å; R7-M11 WeakPolarHBondContact O-CB 3.35Å; R7-M11 VanDerWaalsContact O-CG 3.24Å; R7-M11 WeakPolarHBondContact O-CG 3.34Å; R7-M11 PolarHBondContact O-N 3.27Å
8R96.3Very high95.4Very high169 Ų16969.8 Ų69.864%0.63835%0.349SS*.Hα-helixtrans-61.4-55.1174.9-68.6173.7-167.3129.5-0.8110.9P4 R5 T6 L10 M11 D12P4-R8 WeakPolarHBondContact O-CG 3.19Å; P4-R8 PolarHBondContact O-N 3.28Å; R5-R8 PolarHBondContact O-N 3.49Å; R5-R8 VanDerWaalsContact O-N 3.13Å; T6-R8 PolarHBondContact O-N 3.01Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.39Å; R8-M11 PolarHBondContact O-N 2.92Å; R8-D12 PolarHBondContact O-N 3.12Å
9V96.9Very high95.6Very high36 Ų3666.3 Ų66.322%0.21833%0.331CS..Hα-helixtrans-53.4-46.4179.2177.60000111.6R5 T6 D12 V13 L72R5-V9 PolarHBondContact O-N 3.07Å; T6-V9 PolarHBondContact O-N 3.22Å; V9-D12 PolarHBondContact O-N 3.25Å; V9-V13 WeakPolarHBondContact O-CG2 3.34Å; V9-V13 PolarHBondContact O-N 3.48Å; V9-L72 HydrophobicContact CG1-CD2 4.33Å
10L97.5Very high95.6Very high1 Ų168 Ų681%0.00534%0.337CS..Hα-helixtrans-67.1-38.4178-69.9174.7000112.8T6 R8 D12 V13 K14 W40 I62 W67 L72 M75T6-L10 HydrophobicContact CG2-CD1 3.92Å; T6-L10 WeakPolarHBondContact O-CG 3.3Å; T6-L10 PolarHBondContact O-N 3.38Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.39Å; L10-D12 VanDerWaalsContact C-N 3.31Å; L10-D12 PolarHBondContact O-N 2.85Å; L10-V13 PolarHBondContact O-N 2.76Å; L10-K14 WeakPolarHBondContact O-CB 3.3Å; L10-K14 PolarHBondContact O-N 3.04Å; L10-W40 HydrophobicContact CB-CH2 4.18Å; L10-W40 HydrophobicContact CD2-CZ2 4.48Å; L10-W40 VanDerWaalsContact O-CH2 3.24Å; L10-W40 WeakPolarHBondContact O-CH2 3.49Å; L10-W40 WeakPolarHBondContact O-CZ2 2.83Å; L10-I62 HydrophobicContact CB-CG2 4.18Å; L10-I62 HydrophobicContact CD1-CD1 4.11Å; L10-I62 HydrophobicContact CD1-CG2 4.04Å; L10-I62 HydrophobicContact CD2-CD1 4.4Å; L10-W67 HydrophobicContact CD1-CD2 4.09Å; L10-W67 HydrophobicContact CD1-CH2 4.34Å; L10-W67 HydrophobicContact CD1-CZ2 3.89Å; L10-W67 HydrophobicContact CD2-CH2 4.29Å; L10-W67 HydrophobicContact CD2-CZ3 4.34Å; L10-L72 HydrophobicContact CD1-CD2 4.14Å; L10-L72 HydrophobicContact CD2-CD2 3.67Å; L10-L72 HydrophobicContact CG-CD2 3.67Å; L10-M75 HydrophobicContact CD2-CB 4.17Å; L10-M75 HydrophobicContact CD2-CG 4.08Å
11M96Very high95.7Very high73 Ų7367.8 Ų67.836%0.3634%0.338SS..Hα-helixtrans-68.4-29.1175-69-55.2116.500112.9R7 R8 I62R7-M11 WeakPolarHBondContact O-CB 3.35Å; R7-M11 VanDerWaalsContact O-CG 3.24Å; R7-M11 WeakPolarHBondContact O-CG 3.34Å; R7-M11 PolarHBondContact O-N 3.27Å; R8-M11 PolarHBondContact O-N 2.92Å; M11-I62 HydrophobicContact CE-CG2 3.52Å
12D96.6Very high96.2Very high88 Ų8859.8 Ų59.847%0.47130%0.298SS..Hα-helixtrans-72.9-46.5173.9-67.1-43.2000111.2R8 V9 L10 K14 K15R8-D12 PolarHBondContact O-N 3.12Å; V9-D12 PolarHBondContact O-N 3.25Å; L10-D12 VanDerWaalsContact C-N 3.31Å; L10-D12 PolarHBondContact O-N 2.85Å; D12-K14 PolarHBondContact O-N 3.46Å; D12-K15 WeakPolarHBondContact O-CB 3.3Å; D12-K15 PolarHBondContact O-N 2.99Å; D12-K15 IonicContact OD1-NZ 3.7Å; D12-K15 PolarHBondContact OD1-NZ 3.29Å
13V97.1Very high96.4Very high22 Ų2260.3 Ų60.313%0.13330%0.299CS..Hα-helixtrans-56.5-35.8171.5168.20000112V9 L10 K15 A16 N19 W40 M75 K76V9-V13 WeakPolarHBondContact O-CG2 3.34Å; V9-V13 PolarHBondContact O-N 3.48Å; L10-V13 PolarHBondContact O-N 2.76Å; V13-K15 PolarHBondContact O-N 2.91Å; V13-A16 PolarHBondContact O-N 3.46Å; V13-N19 PolarHBondContact O-ND2 2.81Å; V13-W40 HydrophobicContact CB-CZ2 4.39Å; V13-W40 HydrophobicContact CG1-CZ2 3.97Å; V13-M75 HydrophobicContact CG1-CB 4.49Å; V13-M75 WeakPolarHBondContact CG1-O 3.44Å; V13-K76 HydrophobicContact CG2-CG 3.97Å
14K96.6Very high96.5Very high18 Ų1859 Ų598%0.07829%0.288CS..THydrogen-bonded Turntrans-63.9-22.4-178.7-157.9176.2-166.6173.60114.3L10 D12 A16 N19 N29 P30 W40L10-K14 WeakPolarHBondContact O-CB 3.3Å; L10-K14 PolarHBondContact O-N 3.04Å; D12-K14 PolarHBondContact O-N 3.46Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-N19 HydrophobicContact CG-CB 4.4Å; K14-N29 PolarHBondContact NZ-OD1 2.86Å; K14-P30 WeakPolarHBondContact CE-O 3.49Å; K14-P30 PolarHBondContact NZ-O 3.05Å; K14-W40 HydrophobicContact CB-CH2 3.66Å; K14-W40 HydrophobicContact CB-CZ2 3.93Å; K14-W40 HydrophobicContact CB-CZ3 4.1Å; K14-W40 HydrophobicContact CD-CE3 4.1Å; K14-W40 HydrophobicContact CD-CH2 3.98Å; K14-W40 HydrophobicContact CD-CZ3 3.55Å; K14-W40 HydrophobicContact CG-CD2 4.44Å; K14-W40 HydrophobicContact CG-CE3 4.05Å; K14-W40 HydrophobicContact CG-CH2 3.82Å; K14-W40 HydrophobicContact CG-CZ2 4.23Å; K14-W40 HydrophobicContact CG-CZ3 3.72Å
15K94.9Very high96.6Very high154 Ų15458.5 Ų58.567%0.6729%0.286SS*.THydrogen-bonded Turntrans-72.2-28.5-180-62.4162.7-172.4171.50112.2D12 V13D12-K15 WeakPolarHBondContact O-CB 3.3Å; D12-K15 PolarHBondContact O-N 2.99Å; D12-K15 IonicContact OD1-NZ 3.7Å; D12-K15 PolarHBondContact OD1-NZ 3.29Å; V13-K15 PolarHBondContact O-N 2.91Å
16A93.1Very high96.7Very high48 Ų4853.2 Ų53.240%0.39728%0.276SS..SBendtrans-90.4172.4-176.400000113.1V13 K14 A18 N19V13-A16 PolarHBondContact O-N 3.46Å; K14-A16 VanDerWaalsContact C-N 3.33Å; A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 3.48Å; A16-N19 VanDerWaalsContact O-CB 3.27Å; A16-N19 WeakPolarHBondContact O-CB 3.29Å; A16-N19 VanDerWaalsContact O-CG 3.29Å; A16-N19 PolarHBondContact O-N 2.74Å; A16-N19 PolarHBondContact O-ND2 3.35Å
17N93.6Very high96.7Very high22 Ų2255.1 Ų55.112%0.11829%0.29CS..THydrogen-bonded Turntrans50.631.8159.6-68.2-9.4000117N19 G78 N80 R81 H82N17-N19 PolarHBondContact O-N 2.65Å; N17-N19 PolarHBondContact O-OD1 3.04Å; N17-G78 PolarHBondContact ND2-O 3.3Å; N17-N80 WeakPolarHBondContact O-CB 3.19Å; N17-N80 PolarHBondContact O-N 2.76Å; N17-R81 HydrophobicContact CB-CB 4.04Å; N17-R81 WeakPolarHBondContact O-CB 3.38Å; N17-R81 PolarHBondContact O-N 3.27Å; N17-R81 PolarHBondContact OD1-NE 3.18Å; N17-R81 PolarHBondContact OD1-NH2 3.22Å; N17-H82 PolarHBondContact ND2-CD2 2.99Å; N17-H82 PolarHBondContact ND2-CE1 2.8Å; N17-H82 PolarHBondContact ND2-ND1 3.35Å; N17-H82 PolarHBondContact ND2-NE2 2.93Å
18A96.5Very high96.8Very high45 Ų4554.2 Ų54.237%0.37230%0.3SS..THydrogen-bonded Turntrans55.226.2-174.800000114.5A16 H20 L21 N80A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 3.48Å; A18-H20 PolarHBondContact O-N 3.44Å; A18-H20 VanDerWaalsContact O-N 3.09Å; A18-L21 PolarHBondContact O-N 3.07Å; A18-N80 PolarHBondContact O-ND2 3.31Å
19N97.5Very high96.8Very high2 Ų251.1 Ų51.11%0.01130%0.296CS..THydrogen-bonded Turntrans-68.1-4.4178.7-68.8-21000113.8V13 K14 A16 N17 P30 W40 G79 N80V13-N19 PolarHBondContact O-ND2 2.81Å; K14-N19 HydrophobicContact CG-CB 4.4Å; A16-N19 VanDerWaalsContact O-CB 3.27Å; A16-N19 WeakPolarHBondContact O-CB 3.29Å; A16-N19 VanDerWaalsContact O-CG 3.29Å; A16-N19 PolarHBondContact O-N 2.74Å; A16-N19 PolarHBondContact O-ND2 3.35Å; N17-N19 PolarHBondContact O-N 2.65Å; N17-N19 PolarHBondContact O-OD1 3.04Å; N19-P30 WeakPolarHBondContact O-CG 3.49Å; N19-W40 HydrophobicContact CB-CD2 4.19Å; N19-W40 HydrophobicContact CB-CG 3.93Å; N19-W40 VanDerWaalsContact CG-NE1 3.34Å; N19-W40 PolarHBondContact ND2-NE1 3.06Å; N19-W40 VanDerWaalsContact OD1-CD1 3.29Å; N19-G79 VanDerWaalsContact OD1-CA 3.22Å; N19-G79 WeakPolarHBondContact OD1-CA 3.49Å; N19-N80 PolarHBondContact OD1-N 2.87Å
20H97Very high96.9Very high100 Ų10049.5 Ų49.546%0.46329%0.286SS..THydrogen-bonded Turntrans-85-4.2174.467.8-96.7000113.9A18 N29 P30A18-H20 PolarHBondContact O-N 3.44Å; A18-H20 VanDerWaalsContact O-N 3.09Å; H20-N29 PolarHBondContact O-N 3.33Å; H20-P30 VanDerWaalsContact C-CD 3.48Å; H20-P30 VanDerWaalsContact O-CD 3.22Å; H20-P30 WeakPolarHBondContact O-CD 3.46Å
21L98.2Very high96.9Very high65 Ų6552.3 Ų52.334%0.3430%0.299SS..BIsolated β-bridgetrans-117.8157.5174.1-55.5-178.7000110.9A18 G26 S27 P28 P30 N80A18-L21 PolarHBondContact O-N 3.07Å; L21-G26 WeakPolarHBondContact CD2-O 3.48Å; L21-S27 CarbonylContact C-O 3.57Å; L21-P28 HydrophobicContact CD2-CB 4.33Å; L21-P30 WeakPolarHBondContact O-CG 3.29Å; L21-N80 PolarHBondContact O-ND2 3.33Å
22C98.6Very high97Very high4 Ų450.3 Ų50.33%0.02729%0.287CS..  trans-70.7127.3171-178.70000110.8E24 G26 S27 C42C22-E24 PolarHBondContact O-N 2.94Å; C22-G26 WeakPolarHBondContact O-CA 3.01Å; C22-G26 PolarHBondContact O-N 3.45Å; C22-S27 WeakPolarHBondContact CB-O 3.48Å; C22-S27 PolarHBondContact N-O 3.25Å; C22-C42 HydrophobicContact CB-CB 4.14Å; C22-C42 PolarHBondContact SG-N 3.45Å
23F98.3Very high97.1Very high18 Ų1846.1 Ų46.18%0.07927%0.265CS..THydrogen-bonded Turntrans-58.2-30.3-179.9-178-111.8000114.5I39 W40 I41 N80 A83 K84 F87 Y103F23-I39 HydrophobicContact CB-CB 4.17Å; F23-I39 HydrophobicContact CB-CD1 4.42Å; F23-I39 HydrophobicContact CD1-CB 4.32Å; F23-I39 HydrophobicContact CD1-CD1 3.51Å; F23-I39 HydrophobicContact CD1-CG1 4.48Å; F23-I39 HydrophobicContact CD1-CG2 4.17Å; F23-I39 HydrophobicContact CD2-CG2 4.14Å; F23-I39 HydrophobicContact CE1-CD1 4.01Å; F23-I39 HydrophobicContact CE1-CG2 4.35Å; F23-I39 HydrophobicContact CE2-CG2 4.33Å; F23-I39 HydrophobicContact CG-CB 4.13Å; F23-I39 HydrophobicContact CG-CD1 4.15Å; F23-I39 HydrophobicContact CG-CG2 4.05Å; F23-I39 HydrophobicContact CZ-CG2 4.44Å; F23-W40 PolarHBondContact N-O 2.97Å; F23-I41 HydrophobicContact CB-CG2 4.31Å; F23-N80 HydrophobicContact CD2-CB 3.98Å; F23-N80 WeakPolarHBondContact CE2-O 3.32Å; F23-A83 HydrophobicContact CE2-CB 3.75Å; F23-A83 HydrophobicContact CZ-CB 3.84Å; F23-K84 HydrophobicContact CE2-CB 4.08Å; F23-F87 HydrophobicContact CE1-CE2 4.16Å; F23-F87 AromaticContact CZ-CD2 3.9Å; F23-F87 HydrophobicContact CZ-CD2 3.9Å; F23-F87 AromaticContact CZ-CE2 3.94Å; F23-F87 HydrophobicContact CZ-CE2 3.94Å; F23-Y103 WeakPolarHBondContact CE1-OH 3.48Å
24E97.6Very high97.2Very high22 Ų2245 Ų4510%0.10326%0.259CS..THydrogen-bonded Turntrans-91.4-39.9-177.3-60.9-58.3149.500113.9C22 C45 H49 F99 K102 Y103C22-E24 PolarHBondContact O-N 2.94Å; E24-C45 HydrophobicContact CB-CB 4.36Å; E24-C45 HydrophobicContact CG-CB 4.32Å; E24-H49 IonicContact OE1-NE2 3.74Å; E24-F99 HydrophobicContact CG-CE2 4.08Å; E24-K102 IonicContact OE1-NZ 3.94Å; E24-K102 PolarHBondContact OE1-NZ 3.11Å; E24-K102 IonicContact OE2-NZ 3.81Å; E24-K102 PolarHBondContact OE2-NZ 3.14Å; E24-Y103 WeakPolarHBondContact OE1-CE2 3.4Å; E24-Y103 PolarHBondContact OE1-OH 3.28Å
25C97.6Very high97.2Very high68 Ų6844.4 Ų44.446%0.45926%0.256SS..THydrogen-bonded Turntrans-13110.9-168.567.40000114.8S27 C42C25-S27 PolarHBondContact O-N 3.35Å; C25-C42 VanDerWaalsContact SG-SG 3.7Å
26G97.3Very high97.4Very high35 Ų3538 Ų3836%0.36123%0.23SC..  trans69.1-15.1179.200000116L21 C22L21-G26 WeakPolarHBondContact CD2-O 3.48Å; C22-G26 WeakPolarHBondContact O-CA 3.01Å; C22-G26 PolarHBondContact O-N 3.45Å
27S98.1Very high97.7Very high50 Ų5035.8 Ų35.835%0.3521%0.211SC..  trans-45.5126.9-178.1-178.70000113.1L21 C22 C25L21-S27 CarbonylContact C-O 3.57Å; C22-S27 WeakPolarHBondContact CB-O 3.48Å; C22-S27 PolarHBondContact N-O 3.25Å; C25-S27 PolarHBondContact O-N 3.35Å
28P97.7Very high97.9Very high99 Ų9934.7 Ų34.764%0.64321%0.206SC*.BIsolated β-bridgetrans-74.5159.1-167.329.8-36.7000113.9L21L21-P28 HydrophobicContact CD2-CB 4.33Å
29N96.4Very high98Very high103 Ų10332.6 Ų32.655%0.55119%0.188SC*.SBendtrans53.251.5174.5-167.722000115K14 H20 Q31K14-N29 PolarHBondContact NZ-OD1 2.86Å; H20-N29 PolarHBondContact O-N 3.33Å; N29-Q31 PolarHBondContact O-N 3.36Å; N29-Q31 PolarHBondContact O-NE2 2.96Å; N29-Q31 PolarHBondContact OD1-NE2 3.05Å
30P98.1Very high98Very high2 Ų232.5 Ų32.51%0.01319%0.188CC..  trans-54.5137.6-179.425.5-37.2000112.6K14 N19 H20 L21 W40 I41K14-P30 WeakPolarHBondContact CE-O 3.49Å; K14-P30 PolarHBondContact NZ-O 3.05Å; N19-P30 WeakPolarHBondContact O-CG 3.49Å; H20-P30 VanDerWaalsContact C-CD 3.48Å; H20-P30 VanDerWaalsContact O-CD 3.22Å; H20-P30 WeakPolarHBondContact O-CD 3.46Å; L21-P30 WeakPolarHBondContact O-CG 3.29Å; P30-W40 HydrophobicContact CB-CB 4.12Å; P30-W40 HydrophobicContact CG-CB 3.66Å; P30-W40 HydrophobicContact CG-CE3 4.33Å; P30-I41 VanDerWaalsContact CB-C 3.41Å; P30-I41 WeakPolarHBondContact CB-O 3.49Å
31Q97.8Very high98.1Very high61 Ų6127.7 Ų27.729%0.28517%0.165SC..  trans-111.55.1-178.4-60.1-58.9-49.800113.4N29 I62 N63N29-Q31 PolarHBondContact O-N 3.36Å; N29-Q31 PolarHBondContact O-NE2 2.96Å; N29-Q31 PolarHBondContact OD1-NE2 3.05Å; Q31-I62 WeakPolarHBondContact O-CG1 3.36Å; Q31-I62 PolarHBondContact O-N 2.96Å; Q31-N63 PolarHBondContact OE1-ND2 2.91Å
32W98.6Very high98.1Very high30 Ų3025.1 Ų25.111%0.11415%0.153CC..EExtended strand (participates in β ladder)trans-128.2160.7177.6-59.886.3000109.7I41 L43 V59 R60 M64W32-I41 HydrophobicContact CB-CG1 3.9Å; W32-I41 WeakPolarHBondContact CB-O 3.37Å; W32-I41 PolarHBondContact N-O 3.37Å; W32-I41 PolarHBondContact O-N 2.95Å; W32-I41 VanDerWaalsContact O-O 3.11Å; W32-L43 HydrophobicContact CZ2-CD1 3.81Å; W32-L43 VanDerWaalsContact NE1-CD1 3.33Å; W32-V59 HydrophobicContact CE3-CG1 4.01Å; W32-R60 CarbonylContact C-O 2.93Å; W32-R60 VanDerWaalsContact CA-O 3.3Å; W32-R60 WeakPolarHBondContact CA-O 3.49Å; W32-M64 HydrophobicContact CH2-CE 3.64Å; W32-M64 HydrophobicContact CZ2-CE 3.49Å; W32-M64 VanDerWaalsContact CZ2-CE 3.49Å
33A98.6Very high98.1Very high0 Ų030.6 Ų30.60%018%0.181CC..EExtended strand (participates in β ladder)trans-139.2153174.600000110.8I39 V59 R60 I62 W67 M75A33-I39 CarbonylContact C-O 3.6Å; A33-I39 WeakPolarHBondContact CA-O 3.12Å; A33-I39 VanDerWaalsContact CB-O 3.24Å; A33-I39 WeakPolarHBondContact CB-O 3.12Å; A33-V59 WeakPolarHBondContact O-CA 3.28Å; A33-R60 PolarHBondContact N-O 3.33Å; A33-R60 PolarHBondContact O-N 3.29Å; A33-I62 HydrophobicContact CB-CD1 4.05Å; A33-W67 HydrophobicContact CB-CH2 4.21Å; A33-M75 HydrophobicContact CB-CE 3.69Å; A33-M75 HydrophobicContact CB-SD 3.84Å
34S98.5Very high98.1Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-100.2103.4159.8-174.60000108.5T36 Y37 G38 I39 S57 F58S34-T36 PolarHBondContact O-N 3.46Å; S34-Y37 PolarHBondContact O-N 3.37Å; S34-Y37 VanDerWaalsContact O-N 3.15Å; S34-G38 PolarHBondContact O-N 2.81Å; S34-G38 VanDerWaalsContact O-N 3.08Å; S34-I39 PolarHBondContact N-O 2.92Å; S34-I39 PolarHBondContact O-N 3.09Å; S34-S57 PolarHBondContact OG-OG 3.39Å; S34-F58 WeakPolarHBondContact CA-O 3.31Å
35V98.5Very high98.2Very high4 Ų435.8 Ų35.82%0.02421%0.206CC..THydrogen-bonded Turntrans-62.7-25.5-176.8-174.80000111.2Y37 F58 R60 W67 E71 K74V35-Y37 PolarHBondContact O-N 3.18Å; V35-F58 HydrophobicContact CB-CD1 4.21Å; V35-F58 HydrophobicContact CG2-CD1 4.38Å; V35-F58 PolarHBondContact N-O 3.47Å; V35-R60 HydrophobicContact CG2-CB 3.95Å; V35-R60 HydrophobicContact CG2-CG 3.52Å; V35-W67 HydrophobicContact CG2-CH2 3.8Å; V35-W67 HydrophobicContact CG2-CZ3 3.7Å; V35-E71 HydrophobicContact CG1-CB 3.85Å; V35-E71 HydrophobicContact CG1-CG 4.13Å; V35-K74 HydrophobicContact CG1-CB 4.02Å; V35-K74 HydrophobicContact CG1-CD 4.24Å
36T98.3Very high98.2Very high20 Ų2032.7 Ų32.712%0.12319%0.185CC..THydrogen-bonded Turntrans-59.2-27.9176.2-620000113.8S34 L56 F58 R112S34-T36 PolarHBondContact O-N 3.46Å; T36-L56 WeakPolarHBondContact CG2-O 3.38Å; T36-F58 WeakPolarHBondContact OG1-CB 3.35Å; T36-F58 PolarHBondContact OG1-N 3.49Å; T36-R112 VanDerWaalsContact CG2-CD 3.47Å; T36-R112 HydrophobicContact CG2-CG 3.51Å
37Y98.4Very high98.2Very high1 Ų133 Ų330%0.00419%0.188CC..THydrogen-bonded Turntrans-124.5-0.1179.8-49.9-86000113.4S34 V35 I39 L56 Y103 A108 L111 R112S34-Y37 PolarHBondContact O-N 3.37Å; S34-Y37 VanDerWaalsContact O-N 3.15Å; V35-Y37 PolarHBondContact O-N 3.18Å; Y37-I39 HydrophobicContact CD2-CD1 4.24Å; Y37-I39 PolarHBondContact O-N 3.22Å; Y37-L56 WeakPolarHBondContact CE2-O 3.22Å; Y37-L56 VanDerWaalsContact CZ-O 3.28Å; Y37-L56 PolarHBondContact OH-O 3.23Å; Y37-Y103 HydrophobicContact CD1-CE1 4.44Å; Y37-Y103 HydrophobicContact CD2-CD1 4.47Å; Y37-Y103 AromaticContact CD2-CE1 3.94Å; Y37-Y103 HydrophobicContact CD2-CE1 3.94Å; Y37-Y103 HydrophobicContact CE1-CD1 4.03Å; Y37-Y103 HydrophobicContact CE1-CE1 4.08Å; Y37-Y103 AromaticContact CE2-CD1 3.65Å; Y37-Y103 HydrophobicContact CE2-CD1 3.65Å; Y37-Y103 AromaticContact CE2-CE1 3.56Å; Y37-Y103 HydrophobicContact CE2-CE1 3.56Å; Y37-Y103 HydrophobicContact CG-CE1 4.39Å; Y37-Y103 AromaticContact CZ-CD1 3.41Å; Y37-Y103 VanDerWaalsContact CZ-CD1 3.41Å; Y37-Y103 AromaticContact CZ-CE1 3.66Å; Y37-Y103 WeakPolarHBondContact OH-CD1 3.43Å; Y37-A108 HydrophobicContact CE1-CB 4.22Å; Y37-L111 HydrophobicContact CD1-CB 4.37Å; Y37-L111 HydrophobicContact CD1-CD2 3.85Å; Y37-L111 HydrophobicContact CD1-CG 4.01Å; Y37-R112 HydrophobicContact CD1-CG 4.18Å; Y37-R112 HydrophobicContact CE1-CG 3.49Å; Y37-R112 VanDerWaalsContact CE1-CG 3.49Å; Y37-R112 WeakPolarHBondContact OH-CD 3.44Å; Y37-R112 PolarHBondContact OH-NH1 2.97Å
38G98.2Very high98.3Very high0 Ų036.4 Ų36.40%020%0.196CC..THydrogen-bonded Turntrans68.118-173.600000114.8S34 K74 M75 G79S34-G38 PolarHBondContact O-N 2.81Å; S34-G38 VanDerWaalsContact O-N 3.08Å; G38-K74 WeakPolarHBondContact CA-O 3.39Å; G38-M75 VanDerWaalsContact O-CE 3.32Å; G38-M75 WeakPolarHBondContact O-CE 3.47Å; G38-G79 VanDerWaalsContact O-CA 3.31Å; G38-G79 WeakPolarHBondContact O-CA 3.45Å; G38-G79 PolarHBondContact O-N 3.23Å
39I98.6Very high98.3Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-96.5154.7-172.961.7176.8000113.2F23 A33 S34 Y37 I41 N80 A83 Y103F23-I39 HydrophobicContact CB-CB 4.17Å; F23-I39 HydrophobicContact CB-CD1 4.42Å; F23-I39 HydrophobicContact CD1-CB 4.32Å; F23-I39 HydrophobicContact CD1-CD1 3.51Å; F23-I39 HydrophobicContact CD1-CG1 4.48Å; F23-I39 HydrophobicContact CD1-CG2 4.17Å; F23-I39 HydrophobicContact CD2-CG2 4.14Å; F23-I39 HydrophobicContact CE1-CD1 4.01Å; F23-I39 HydrophobicContact CE1-CG2 4.35Å; F23-I39 HydrophobicContact CE2-CG2 4.33Å; F23-I39 HydrophobicContact CG-CB 4.13Å; F23-I39 HydrophobicContact CG-CD1 4.15Å; F23-I39 HydrophobicContact CG-CG2 4.05Å; F23-I39 HydrophobicContact CZ-CG2 4.44Å; A33-I39 CarbonylContact C-O 3.6Å; A33-I39 WeakPolarHBondContact CA-O 3.12Å; A33-I39 VanDerWaalsContact CB-O 3.24Å; A33-I39 WeakPolarHBondContact CB-O 3.12Å; S34-I39 PolarHBondContact N-O 2.92Å; S34-I39 PolarHBondContact O-N 3.09Å; Y37-I39 HydrophobicContact CD2-CD1 4.24Å; Y37-I39 PolarHBondContact O-N 3.22Å; I39-I41 HydrophobicContact CD1-CG2 4.42Å; I39-N80 WeakPolarHBondContact CA-OD1 3.48Å; I39-A83 HydrophobicContact CG2-CB 3.51Å; I39-Y103 WeakPolarHBondContact CD1-OH 3.12Å
40W98.7Very high98.4Very high0 Ų033 Ų330%016%0.163CC..EExtended strand (participates in β ladder)trans-108.1132.3-179.2-65.170.6000111.3L10 V13 K14 N19 F23 P30 I62 M75 N80L10-W40 HydrophobicContact CB-CH2 4.18Å; L10-W40 HydrophobicContact CD2-CZ2 4.48Å; L10-W40 VanDerWaalsContact O-CH2 3.24Å; L10-W40 WeakPolarHBondContact O-CH2 3.49Å; L10-W40 WeakPolarHBondContact O-CZ2 2.83Å; V13-W40 HydrophobicContact CB-CZ2 4.39Å; V13-W40 HydrophobicContact CG1-CZ2 3.97Å; K14-W40 HydrophobicContact CB-CH2 3.66Å; K14-W40 HydrophobicContact CB-CZ2 3.93Å; K14-W40 HydrophobicContact CB-CZ3 4.1Å; K14-W40 HydrophobicContact CD-CE3 4.1Å; K14-W40 HydrophobicContact CD-CH2 3.98Å; K14-W40 HydrophobicContact CD-CZ3 3.55Å; K14-W40 HydrophobicContact CG-CD2 4.44Å; K14-W40 HydrophobicContact CG-CE3 4.05Å; K14-W40 HydrophobicContact CG-CH2 3.82Å; K14-W40 HydrophobicContact CG-CZ2 4.23Å; K14-W40 HydrophobicContact CG-CZ3 3.72Å; N19-W40 HydrophobicContact CB-CD2 4.19Å; N19-W40 HydrophobicContact CB-CG 3.93Å; N19-W40 VanDerWaalsContact CG-NE1 3.34Å; N19-W40 PolarHBondContact ND2-NE1 3.06Å; N19-W40 VanDerWaalsContact OD1-CD1 3.29Å; F23-W40 PolarHBondContact N-O 2.97Å; P30-W40 HydrophobicContact CB-CB 4.12Å; P30-W40 HydrophobicContact CG-CB 3.66Å; P30-W40 HydrophobicContact CG-CE3 4.33Å; W40-I62 HydrophobicContact CD2-CD1 4.47Å; W40-I62 HydrophobicContact CE3-CD1 3.84Å; W40-I62 HydrophobicContact CE3-CG1 4.05Å; W40-I62 HydrophobicContact CH2-CD1 3.6Å; W40-I62 HydrophobicContact CH2-CG1 4.21Å; W40-I62 HydrophobicContact CH2-CG2 4.4Å; W40-I62 HydrophobicContact CZ2-CD1 4.25Å; W40-I62 HydrophobicContact CZ3-CD1 3.37Å; W40-I62 HydrophobicContact CZ3-CG1 3.56Å; W40-I62 HydrophobicContact CZ3-CG2 4.22Å; W40-M75 HydrophobicContact CD2-CE 4.43Å; W40-M75 HydrophobicContact CG-CE 4.39Å; W40-M75 HydrophobicContact CZ2-CE 4.36Å; W40-M75 VanDerWaalsContact NE1-CE 3.31Å; W40-N80 PolarHBondContact N-OD1 3.07Å
41I98.8Very high98.4Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-138152-171.458.6-176.4000112.8F23 P30 W32 I39 C45 H49F23-I41 HydrophobicContact CB-CG2 4.31Å; P30-I41 VanDerWaalsContact CB-C 3.41Å; P30-I41 WeakPolarHBondContact CB-O 3.49Å; W32-I41 HydrophobicContact CB-CG1 3.9Å; W32-I41 WeakPolarHBondContact CB-O 3.37Å; W32-I41 PolarHBondContact N-O 3.37Å; W32-I41 PolarHBondContact O-N 2.95Å; W32-I41 VanDerWaalsContact O-O 3.11Å; I39-I41 HydrophobicContact CD1-CG2 4.42Å; I41-C45 HydrophobicContact CB-CB 4.16Å; I41-H49 HydrophobicContact CD1-CB 4.06Å
42C98.6Very high98.3Very high11 Ų1133.7 Ų33.77%0.07419%0.185CC..  trans-73.6172.3174.171.80000111.7C22 C25 E44 C45 S46C22-C42 HydrophobicContact CB-CB 4.14Å; C22-C42 PolarHBondContact SG-N 3.45Å; C25-C42 VanDerWaalsContact SG-SG 3.7Å; C42-E44 PolarHBondContact O-N 3.01Å; C42-C45 PolarHBondContact O-N 3.44Å; C42-C45 PolarHBondContact SG-N 3.08Å; C42-C45 VanDerWaalsContact SG-N 3.44Å; C42-S46 WeakPolarHBondContact O-CB 3.16Å; C42-S46 PolarHBondContact O-N 3.39Å
43L98Very high98.3Very high119 Ų11933.5 Ų33.562%0.62319%0.192SC*.Hα-helixtrans-57.4-46.8180176.663000112.4W32 S46 G47W32-L43 HydrophobicContact CZ2-CD1 3.81Å; W32-L43 VanDerWaalsContact NE1-CD1 3.33Å; L43-S46 WeakPolarHBondContact O-CB 3.33Å; L43-S46 PolarHBondContact O-N 3.17Å; L43-S46 PolarHBondContact O-OG 2.87Å; L43-G47 PolarHBondContact O-N 3.42Å
44E98.5Very high98.2Very high146 Ų14638.4 Ų38.468%0.68222%0.221SC*.Hα-helixtrans-63.2-47.7-179.4-63.9163.4-166.300112.1C42 S46 G47 K48C42-E44 PolarHBondContact O-N 3.01Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.98Å; E44-G47 WeakPolarHBondContact O-CA 3.37Å; E44-G47 PolarHBondContact O-N 3.29Å; E44-K48 PolarHBondContact O-N 3.39Å; E44-K48 VanDerWaalsContact O-N 3.13Å
45C98.6Very high98.1Very high2 Ų245.3 Ų45.31%0.01425%0.253CS..Hα-helixtrans-66.7-30.5176.7-670000111.4E24 I41 C42 G47 K48 H49E24-C45 HydrophobicContact CB-CB 4.36Å; E24-C45 HydrophobicContact CG-CB 4.32Å; I41-C45 HydrophobicContact CB-CB 4.16Å; C42-C45 PolarHBondContact O-N 3.44Å; C42-C45 PolarHBondContact SG-N 3.08Å; C42-C45 VanDerWaalsContact SG-N 3.44Å; C45-G47 PolarHBondContact O-N 3.46Å; C45-K48 PolarHBondContact O-N 3.35Å; C45-K48 VanDerWaalsContact O-N 3.16Å; C45-H49 WeakPolarHBondContact O-CB 3.46Å; C45-H49 PolarHBondContact O-CD2 3.01Å; C45-H49 VanDerWaalsContact O-CD2 3.23Å; C45-H49 PolarHBondContact O-N 3.32Å
46S98.4Very high98Very high3 Ų345.6 Ų45.62%0.02126%0.255CS..Hα-helixtrans-59.9-31.8169.393.60000112.4C42 L43 E44 R50C42-S46 WeakPolarHBondContact O-CB 3.16Å; C42-S46 PolarHBondContact O-N 3.39Å; L43-S46 WeakPolarHBondContact O-CB 3.33Å; L43-S46 PolarHBondContact O-N 3.17Å; L43-S46 PolarHBondContact O-OG 2.87Å; E44-S46 VanDerWaalsContact C-N 3.27Å; E44-S46 PolarHBondContact O-N 2.98Å; S46-R50 WeakPolarHBondContact O-CD 3.41Å; S46-R50 WeakPolarHBondContact O-CG 3.25Å; S46-R50 PolarHBondContact O-N 3.43Å; S46-R50 VanDerWaalsContact O-N 3.13Å
47G98.1Very high98Very high41 Ų4144.8 Ų44.842%0.42325%0.25SC..Hα-helixtrans-66.3-51.1170.100000112.2L43 E44 C45 H49 R50 G51L43-G47 PolarHBondContact O-N 3.42Å; E44-G47 WeakPolarHBondContact O-CA 3.37Å; E44-G47 PolarHBondContact O-N 3.29Å; C45-G47 PolarHBondContact O-N 3.46Å; G47-H49 VanDerWaalsContact C-N 3.33Å; G47-H49 PolarHBondContact O-N 3.49Å; G47-R50 WeakPolarHBondContact O-CB 3.39Å; G47-R50 PolarHBondContact O-N 3.26Å; G47-R50 VanDerWaalsContact O-N 3.11Å; G47-G51 PolarHBondContact O-N 3.39Å
48K98.3Very high98Very high122 Ų12248 Ų4853%0.5326%0.264SS..Hα-helixtrans-55.2-47.5175.7-59.8-177.5-178.8-1800111.5E44 C45 R50 G51 L52 F99E44-K48 PolarHBondContact O-N 3.39Å; E44-K48 VanDerWaalsContact O-N 3.13Å; C45-K48 PolarHBondContact O-N 3.35Å; C45-K48 VanDerWaalsContact O-N 3.16Å; K48-R50 VanDerWaalsContact C-N 3.33Å; K48-R50 PolarHBondContact O-N 2.92Å; K48-G51 WeakPolarHBondContact O-CA 3.5Å; K48-G51 PolarHBondContact O-N 3.17Å; K48-L52 PolarHBondContact O-N 3.39Å; K48-F99 HydrophobicContact CB-CD1 4.29Å; K48-F99 HydrophobicContact CB-CE1 3.66Å; K48-F99 HydrophobicContact CB-CE2 4.25Å; K48-F99 HydrophobicContact CB-CZ 3.64Å; K48-F99 WeakPolarHBondContact O-CE1 3.4Å
49H98.6Very high98.1Very high0 Ų048.5 Ų48.50%027%0.267CS..Hα-helixtrans-63.1-31177.4-87.5-89.9000114.2E24 I41 C45 G47 G51 L52 S57 V59 F99 Y103E24-H49 IonicContact OE1-NE2 3.74Å; I41-H49 HydrophobicContact CD1-CB 4.06Å; C45-H49 WeakPolarHBondContact O-CB 3.46Å; C45-H49 PolarHBondContact O-CD2 3.01Å; C45-H49 VanDerWaalsContact O-CD2 3.23Å; C45-H49 PolarHBondContact O-N 3.32Å; G47-H49 VanDerWaalsContact C-N 3.33Å; G47-H49 PolarHBondContact O-N 3.49Å; H49-G51 VanDerWaalsContact C-N 3.33Å; H49-L52 WeakPolarHBondContact O-CB 3.31Å; H49-L52 PolarHBondContact O-N 3.36Å; H49-S57 WeakPolarHBondContact CB-OG 3.46Å; H49-S57 PolarHBondContact ND1-OG 2.94Å; H49-V59 HydrophobicContact CB-CG2 3.54Å; H49-F99 AromaticContact CD2-CE2 3.93Å; H49-F99 AromaticContact CD2-CZ 3.69Å; H49-F99 AromaticContact CG-CZ 3.91Å; H49-F99 AromaticContact NE2-CE2 3.85Å; H49-F99 AromaticContact NE2-CZ 3.98Å; H49-Y103 AromaticContact CE1-CE2 3.58Å; H49-Y103 AromaticContact CE1-CZ 3.43Å; H49-Y103 VanDerWaalsContact CE1-CZ 3.43Å; H49-Y103 PolarHBondContact CE1-OH 2.91Å
50R98.1Very high98Very high132 Ų13250.5 Ų50.550%0.49828%0.275SS..Hα-helixtrans-68.2-34.4172-73.1161-174.8-78.9-0.7111.7S46 G47 K48 L52 G53 V59S46-R50 WeakPolarHBondContact O-CD 3.41Å; S46-R50 WeakPolarHBondContact O-CG 3.25Å; S46-R50 PolarHBondContact O-N 3.43Å; S46-R50 VanDerWaalsContact O-N 3.13Å; G47-R50 WeakPolarHBondContact O-CB 3.39Å; G47-R50 PolarHBondContact O-N 3.26Å; G47-R50 VanDerWaalsContact O-N 3.11Å; K48-R50 VanDerWaalsContact C-N 3.33Å; K48-R50 PolarHBondContact O-N 2.92Å; R50-L52 PolarHBondContact O-N 3.35Å; R50-G53 PolarHBondContact O-N 3.27Å; R50-G53 VanDerWaalsContact O-N 3.09Å; R50-V59 HydrophobicContact CG-CB 4.22Å; R50-V59 HydrophobicContact CG-CG1 4.49Å; R50-V59 HydrophobicContact CG-CG2 4.17Å
51G97.7Very high98Very high68 Ų6850.7 Ų50.770%0.70128%0.276SS*.Hα-helixtrans-63.3-23175.900000114.5G47 K48 H49 G53G47-G51 PolarHBondContact O-N 3.39Å; K48-G51 WeakPolarHBondContact O-CA 3.5Å; K48-G51 PolarHBondContact O-N 3.17Å; H49-G51 VanDerWaalsContact C-N 3.33Å; G51-G53 PolarHBondContact O-N 3.13Å
52L97.4Very high98Very high9 Ų950.7 Ų50.75%0.04728%0.276CS..THydrogen-bonded Turntrans-69.9-18.6173.1-57.7175.2000113.3K48 H49 R50 L56 F99 Q100 Y103K48-L52 PolarHBondContact O-N 3.39Å; H49-L52 WeakPolarHBondContact O-CB 3.31Å; H49-L52 PolarHBondContact O-N 3.36Å; R50-L52 PolarHBondContact O-N 3.35Å; L52-L56 HydrophobicContact CB-CB 3.91Å; L52-L56 HydrophobicContact CB-CD1 4.21Å; L52-F99 HydrophobicContact CD1-CE1 3.8Å; L52-F99 HydrophobicContact CD1-CZ 3.87Å; L52-F99 HydrophobicContact CD2-CD1 3.97Å; L52-F99 HydrophobicContact CD2-CE1 3.6Å; L52-F99 HydrophobicContact CD2-CZ 4.48Å; L52-F99 HydrophobicContact CG-CE1 3.66Å; L52-F99 HydrophobicContact CG-CZ 4.22Å; L52-Q100 VanDerWaalsContact CD2-OE1 3.24Å; L52-Y103 HydrophobicContact CD1-CD2 3.62Å; L52-Y103 HydrophobicContact CD1-CE2 4.41Å; L52-Y103 HydrophobicContact CD1-CG 3.76Å
53G97.2Very high97.8Very high25 Ų2553 Ų5326%0.25829%0.287SS..  trans80.7155.3-17000000113.9R50 G51 H55 L56 S57R50-G53 PolarHBondContact O-N 3.27Å; R50-G53 VanDerWaalsContact O-N 3.09Å; G51-G53 PolarHBondContact O-N 3.13Å; G53-H55 VanDerWaalsContact C-N 3.26Å; G53-H55 PolarHBondContact O-N 3.3Å; G53-L56 PolarHBondContact O-N 2.99Å; G53-L56 VanDerWaalsContact O-N 3.15Å; G53-S57 PolarHBondContact O-N 3.29Å
54V97.5Very high97.7Very high103 Ų10352.7 Ų52.762%0.62428%0.284SS*.THydrogen-bonded Turntrans-59.8-31.3-17356.30000114.1L56 F58V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.01Å; V54-F58 HydrophobicContact CG2-CB 4.48Å; V54-F58 HydrophobicContact CG2-CD2 3.78Å; V54-F58 HydrophobicContact CG2-CG 4.5Å
55H95.8Very high97.6Very high145 Ų14547.6 Ų47.667%0.67126%0.262SS*.THydrogen-bonded Turntrans-69.8-28.2-179.864.1-84.6000112.9G53G53-H55 VanDerWaalsContact C-N 3.26Å; G53-H55 PolarHBondContact O-N 3.3Å
56L97.4Very high97.6Very high10 Ų1055.4 Ų55.45%0.05230%0.295CS..THydrogen-bonded Turntrans-92.8-32172.3-65.1-175.7000112.9T36 Y37 L52 G53 V54T36-L56 WeakPolarHBondContact CG2-O 3.38Å; Y37-L56 WeakPolarHBondContact CE2-O 3.22Å; Y37-L56 VanDerWaalsContact CZ-O 3.28Å; Y37-L56 PolarHBondContact OH-O 3.23Å; L52-L56 HydrophobicContact CB-CB 3.91Å; L52-L56 HydrophobicContact CB-CD1 4.21Å; G53-L56 PolarHBondContact O-N 2.99Å; G53-L56 VanDerWaalsContact O-N 3.15Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.01Å
57S98.1Very high97.5Very high3 Ų356.6 Ų56.62%0.02130%0.3CS..  trans-157.3106.4-175.9174.60000113.6S34 H49 G53 V59S34-S57 PolarHBondContact OG-OG 3.39Å; H49-S57 WeakPolarHBondContact CB-OG 3.46Å; H49-S57 PolarHBondContact ND1-OG 2.94Å; G53-S57 PolarHBondContact O-N 3.29Å; S57-V59 PolarHBondContact O-N 3.11Å
58F98.3Very high97.5Very high68 Ų6861.5 Ų61.530%0.29831%0.309SS..  trans-86.6107.4174.3-172.7-126.9000111.7S34 V35 T36 V54 R60S34-F58 WeakPolarHBondContact CA-O 3.31Å; V35-F58 HydrophobicContact CB-CD1 4.21Å; V35-F58 HydrophobicContact CG2-CD1 4.38Å; V35-F58 PolarHBondContact N-O 3.47Å; T36-F58 WeakPolarHBondContact OG1-CB 3.35Å; T36-F58 PolarHBondContact OG1-N 3.49Å; V54-F58 HydrophobicContact CG2-CB 4.48Å; V54-F58 HydrophobicContact CG2-CD2 3.78Å; V54-F58 HydrophobicContact CG2-CG 4.5Å; F58-R60 HydrophobicContact CE1-CG 4.21Å
59V98.6Very high97.4Very high12 Ų1259.9 Ų59.97%0.07330%0.304CS..EExtended strand (participates in β ladder)trans-94.3131.2-173.2178.30000112W32 A33 H49 R50 S57W32-V59 HydrophobicContact CE3-CG1 4.01Å; A33-V59 WeakPolarHBondContact O-CA 3.28Å; H49-V59 HydrophobicContact CB-CG2 3.54Å; R50-V59 HydrophobicContact CG-CB 4.22Å; R50-V59 HydrophobicContact CG-CG1 4.49Å; R50-V59 HydrophobicContact CG-CG2 4.17Å; S57-V59 PolarHBondContact O-N 3.11Å
60R98.3Very high97.3Very high41 Ų4164.5 Ų64.516%0.15533%0.328CS..EExtended strand (participates in β ladder)trans-128.6145.6176.2-72-64.7-154-164.8-6.2112W32 A33 V35 F58 D65 K66 W67 E71W32-R60 CarbonylContact C-O 2.93Å; W32-R60 VanDerWaalsContact CA-O 3.3Å; W32-R60 WeakPolarHBondContact CA-O 3.49Å; A33-R60 PolarHBondContact N-O 3.33Å; A33-R60 PolarHBondContact O-N 3.29Å; V35-R60 HydrophobicContact CG2-CB 3.95Å; V35-R60 HydrophobicContact CG2-CG 3.52Å; F58-R60 HydrophobicContact CE1-CG 4.21Å; R60-D65 HydrophobicContact CB-CB 4.47Å; R60-D65 VanDerWaalsContact CD-CG 3.46Å; R60-D65 WeakPolarHBondContact CD-OD1 3.49Å; R60-D65 IonicContact CZ-OD1 3.71Å; R60-D65 IonicContact NE-OD1 3.91Å; R60-D65 IonicContact NH1-OD1 2.78Å; R60-D65 PolarHBondContact NH1-OD1 3.19Å; R60-K66 VanDerWaalsContact CZ-O 3.23Å; R60-K66 PolarHBondContact NH2-O 3.15Å; R60-W67 HydrophobicContact CB-CH2 3.78Å; R60-W67 HydrophobicContact CB-CZ2 3.39Å; R60-W67 HydrophobicContact CG-CH2 4.3Å; R60-W67 HydrophobicContact CG-CZ2 4.16Å; R60-E71 IonicContact CZ-OE1 3.72Å; R60-E71 IonicContact CZ-OE2 3.62Å; R60-E71 IonicContact NE-OE1 3.75Å; R60-E71 IonicContact NE-OE2 3.17Å; R60-E71 PolarHBondContact NE-OE2 2.86Å; R60-E71 VanDerWaalsContact NE-OE2 3.17Å; R60-E71 IonicContact NH2-OE1 2.81Å; R60-E71 PolarHBondContact NH2-OE1 2.72Å; R60-E71 IonicContact NH2-OE2 3.26Å; R60-E71 PolarHBondContact NH2-OE2 2.93Å
61S97.9Very high97.3Very high4 Ų459 Ų593%0.02831%0.307CS..EExtended strand (participates in β ladder)trans-81.1134.8163.3179.10000110.5N63 M64 D65 W67S61-N63 PolarHBondContact O-N 3.35Å; S61-N63 PolarHBondContact OG-N 3.05Å; S61-M64 WeakPolarHBondContact OG-CB 3.41Å; S61-M64 PolarHBondContact OG-N 2.96Å; S61-M64 VanDerWaalsContact OG-N 3.07Å; S61-D65 WeakPolarHBondContact CB-OD2 3.31Å; S61-D65 PolarHBondContact N-OD2 3.38Å; S61-W67 PolarHBondContact O-NE1 2.96Å
62I97.6Very high97.3Very high0 Ų055.8 Ų55.80%027%0.274CS..THydrogen-bonded Turntrans-61.2-31.1177.3-60.1-64.3000111.9A2 L10 M11 Q31 A33 W40 W67A2-I62 WeakPolarHBondContact CB-O 3.27Å; L10-I62 HydrophobicContact CB-CG2 4.18Å; L10-I62 HydrophobicContact CD1-CD1 4.11Å; L10-I62 HydrophobicContact CD1-CG2 4.04Å; L10-I62 HydrophobicContact CD2-CD1 4.4Å; M11-I62 HydrophobicContact CE-CG2 3.52Å; Q31-I62 WeakPolarHBondContact O-CG1 3.36Å; Q31-I62 PolarHBondContact O-N 2.96Å; A33-I62 HydrophobicContact CB-CD1 4.05Å; W40-I62 HydrophobicContact CD2-CD1 4.47Å; W40-I62 HydrophobicContact CE3-CD1 3.84Å; W40-I62 HydrophobicContact CE3-CG1 4.05Å; W40-I62 HydrophobicContact CH2-CD1 3.6Å; W40-I62 HydrophobicContact CH2-CG1 4.21Å; W40-I62 HydrophobicContact CH2-CG2 4.4Å; W40-I62 HydrophobicContact CZ2-CD1 4.25Å; W40-I62 HydrophobicContact CZ3-CD1 3.37Å; W40-I62 HydrophobicContact CZ3-CG1 3.56Å; W40-I62 HydrophobicContact CZ3-CG2 4.22Å; I62-W67 HydrophobicContact CD1-CH2 4.38Å; I62-W67 HydrophobicContact CD1-CZ2 4.04Å
63N95.7Very high97.3Very high59 Ų5958.2 Ų58.232%0.31629%0.285SS..THydrogen-bonded Turntrans-111.4-36.1-176.1-68.6-34.3000113.8M1 A2 Q31 S61M1-N63 CarbonylContact C-O 3.55Å; M1-N63 VanDerWaalsContact CA-O 3.3Å; M1-N63 WeakPolarHBondContact CA-O 3.18Å; A2-N63 PolarHBondContact N-O 3.15Å; Q31-N63 PolarHBondContact OE1-ND2 2.91Å; S61-N63 PolarHBondContact O-N 3.35Å; S61-N63 PolarHBondContact OG-N 3.05Å
64M95.8Very high97.4Very high114 Ų11459 Ų5956%0.56228%0.282SS*.THydrogen-bonded Turntrans-90-28.8-168.8-58.7-173.8-70.300114M1 W32 S61M1-M64 WeakPolarHBondContact CA-O 3.45Å; M1-M64 PolarHBondContact N-O 3.23Å; W32-M64 HydrophobicContact CH2-CE 3.64Å; W32-M64 HydrophobicContact CZ2-CE 3.49Å; W32-M64 VanDerWaalsContact CZ2-CE 3.49Å; S61-M64 WeakPolarHBondContact OG-CB 3.41Å; S61-M64 PolarHBondContact OG-N 2.96Å; S61-M64 VanDerWaalsContact OG-N 3.07Å
65D97.2Very high97.4Very high38 Ų3854.2 Ų54.220%0.20325%0.253CS..SBendtrans-77.5163.6-179.6-89.2-86.8000113.7M1 A2 R60 S61M1-D65 CarbonylContact C-O 3.48Å; M1-D65 WeakPolarHBondContact CA-O 3.35Å; A2-D65 WeakPolarHBondContact CA-O 3.39Å; A2-D65 PolarHBondContact N-O 2.78Å; R60-D65 HydrophobicContact CB-CB 4.47Å; R60-D65 VanDerWaalsContact CD-CG 3.46Å; R60-D65 WeakPolarHBondContact CD-OD1 3.49Å; R60-D65 IonicContact CZ-OD1 3.71Å; R60-D65 IonicContact NE-OD1 3.91Å; R60-D65 IonicContact NH1-OD1 2.78Å; R60-D65 PolarHBondContact NH1-OD1 3.19Å; S61-D65 WeakPolarHBondContact CB-OD2 3.31Å; S61-D65 PolarHBondContact N-OD2 3.38Å
66K96.9Very high97.5Very high166 Ų16651.6 Ų51.672%0.72224%0.239SC*.  trans-90.3135.8159-68.8-178179.7179.40107.7R60R60-K66 VanDerWaalsContact CZ-O 3.23Å; R60-K66 PolarHBondContact NH2-O 3.15Å
67W97.7Very high97.5Very high29 Ų2952.8 Ų52.811%0.1125%0.247CC..  trans-111.8141.2-177.6-73.872.4000111.2T6 L10 A33 V35 R60 S61 I62 E71 L72 M75T6-W67 HydrophobicContact CG2-CB 3.56Å; T6-W67 HydrophobicContact CG2-CD2 4.35Å; T6-W67 HydrophobicContact CG2-CG 3.59Å; L10-W67 HydrophobicContact CD1-CD2 4.09Å; L10-W67 HydrophobicContact CD1-CH2 4.34Å; L10-W67 HydrophobicContact CD1-CZ2 3.89Å; L10-W67 HydrophobicContact CD2-CH2 4.29Å; L10-W67 HydrophobicContact CD2-CZ3 4.34Å; A33-W67 HydrophobicContact CB-CH2 4.21Å; V35-W67 HydrophobicContact CG2-CH2 3.8Å; V35-W67 HydrophobicContact CG2-CZ3 3.7Å; R60-W67 HydrophobicContact CB-CH2 3.78Å; R60-W67 HydrophobicContact CB-CZ2 3.39Å; R60-W67 HydrophobicContact CG-CH2 4.3Å; R60-W67 HydrophobicContact CG-CZ2 4.16Å; S61-W67 PolarHBondContact O-NE1 2.96Å; I62-W67 HydrophobicContact CD1-CH2 4.38Å; I62-W67 HydrophobicContact CD1-CZ2 4.04Å; W67-E71 WeakPolarHBondContact CA-OE2 3.47Å; W67-E71 HydrophobicContact CE3-CB 3.77Å; W67-E71 HydrophobicContact CZ3-CB 4.23Å; W67-L72 HydrophobicContact CD2-CD2 4.48Å; W67-L72 HydrophobicContact CE3-CD2 4.05Å; W67-L72 HydrophobicContact CE3-CG 4.48Å; W67-M75 HydrophobicContact CH2-CG 3.96Å; W67-M75 HydrophobicContact CH2-SD 4.24Å; W67-M75 HydrophobicContact CZ3-CG 3.62Å; W67-M75 HydrophobicContact CZ3-SD 4.34Å
68K96.8Very high97.4Very high144 Ų14452.8 Ų52.863%0.62625%0.247SC*.  trans-89.1159168.2-57.7178178.8-177.90110.5L70 E71 L72K68-L70 PolarHBondContact O-N 2.86Å; K68-E71 HydrophobicContact CB-CB 4.34Å; K68-E71 HydrophobicContact CB-CG 3.91Å; K68-E71 HydrophobicContact CG-CG 4.4Å; K68-E71 PolarHBondContact N-OE2 2.87Å; K68-E71 WeakPolarHBondContact O-CB 3.46Å; K68-E71 PolarHBondContact O-N 3.23Å; K68-E71 VanDerWaalsContact O-N 3.09Å; K68-L72 PolarHBondContact O-N 3.15Å; K68-L72 VanDerWaalsContact O-N 3.09Å
69E96.7Very high97.4Very high88 Ų8849.5 Ų49.541%0.41123%0.233SC..Hα-helixtrans-65.4-38.5179.1-155.770-169.400112.1R5 E71 L72 E73R5-E69 IonicContact CZ-OE1 2.8Å; R5-E69 IonicContact CZ-OE2 2.86Å; R5-E69 IonicContact NE-OE1 3.54Å; R5-E69 IonicContact NE-OE2 2.65Å; R5-E69 VanDerWaalsContact NH2-CD 3.28Å; R5-E69 IonicContact NH2-OE1 2.68Å; R5-E69 PolarHBondContact NH2-OE1 2.65Å; R5-E69 IonicContact NH2-OE2 3.52Å; E69-E71 VanDerWaalsContact C-N 3.27Å; E69-E71 PolarHBondContact O-N 3.39Å; E69-L72 CarbonylContact O-C 3.54Å; E69-L72 WeakPolarHBondContact O-CA 3.36Å; E69-L72 WeakPolarHBondContact O-CB 3.41Å; E69-L72 PolarHBondContact O-N 2.88Å; E69-E73 PolarHBondContact O-N 3.45Å
70L97Very high97.4Very high97 Ų9749.3 Ų49.351%0.50823%0.231SC..Hα-helixtrans-63.2-31.1171.9-17664.9000112.8K68 L72 E73 K74 A119K68-L70 PolarHBondContact O-N 2.86Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-E73 PolarHBondContact O-N 3.12Å; L70-K74 WeakPolarHBondContact O-CG 3.1Å; L70-K74 PolarHBondContact O-N 3.48Å; L70-A119 HydrophobicContact CD1-CB 4.12Å; L70-A119 VanDerWaalsContact CD1-O 3.29Å; L70-A119 WeakPolarHBondContact CD1-O 3.4Å
71E97.9Very high97.4Very high15 Ų1553.4 Ų53.47%0.0725%0.247CC..Hα-helixtrans-69.5-31.4172.9-64.4169.5-173.500111V35 R60 W67 K68 E69 M75V35-E71 HydrophobicContact CG1-CB 3.85Å; V35-E71 HydrophobicContact CG1-CG 4.13Å; R60-E71 IonicContact CZ-OE1 3.72Å; R60-E71 IonicContact CZ-OE2 3.62Å; R60-E71 IonicContact NE-OE1 3.75Å; R60-E71 IonicContact NE-OE2 3.17Å; R60-E71 PolarHBondContact NE-OE2 2.86Å; R60-E71 VanDerWaalsContact NE-OE2 3.17Å; R60-E71 IonicContact NH2-OE1 2.81Å; R60-E71 PolarHBondContact NH2-OE1 2.72Å; R60-E71 IonicContact NH2-OE2 3.26Å; R60-E71 PolarHBondContact NH2-OE2 2.93Å; W67-E71 WeakPolarHBondContact CA-OE2 3.47Å; W67-E71 HydrophobicContact CE3-CB 3.77Å; W67-E71 HydrophobicContact CZ3-CB 4.23Å; K68-E71 HydrophobicContact CB-CB 4.34Å; K68-E71 HydrophobicContact CB-CG 3.91Å; K68-E71 HydrophobicContact CG-CG 4.4Å; K68-E71 PolarHBondContact N-OE2 2.87Å; K68-E71 WeakPolarHBondContact O-CB 3.46Å; K68-E71 PolarHBondContact O-N 3.23Å; K68-E71 VanDerWaalsContact O-N 3.09Å; E69-E71 VanDerWaalsContact C-N 3.27Å; E69-E71 PolarHBondContact O-N 3.39Å; E71-M75 WeakPolarHBondContact O-CG 3.28Å
72L97.7Very high97.3Very high1 Ų156.9 Ų56.91%0.00526%0.262CS..Hα-helixtrans-72.9-40.3172.3-72.3176.2000112.3T6 V9 L10 W67 K68 E69 L70 K74 M75 K76T6-L72 HydrophobicContact CG2-CD1 4.3Å; T6-L72 HydrophobicContact CG2-CD2 3.95Å; T6-L72 HydrophobicContact CG2-CG 4.5Å; V9-L72 HydrophobicContact CG1-CD2 4.33Å; L10-L72 HydrophobicContact CD1-CD2 4.14Å; L10-L72 HydrophobicContact CD2-CD2 3.67Å; L10-L72 HydrophobicContact CG-CD2 3.67Å; W67-L72 HydrophobicContact CD2-CD2 4.48Å; W67-L72 HydrophobicContact CE3-CD2 4.05Å; W67-L72 HydrophobicContact CE3-CG 4.48Å; K68-L72 PolarHBondContact O-N 3.15Å; K68-L72 VanDerWaalsContact O-N 3.09Å; E69-L72 CarbonylContact O-C 3.54Å; E69-L72 WeakPolarHBondContact O-CA 3.36Å; E69-L72 WeakPolarHBondContact O-CB 3.41Å; E69-L72 PolarHBondContact O-N 2.88Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.2Å; L72-M75 WeakPolarHBondContact O-CB 3.19Å; L72-M75 PolarHBondContact O-N 3.03Å; L72-M75 VanDerWaalsContact O-N 3.07Å; L72-K76 PolarHBondContact O-N 3.46Å
73E97.9Very high97.3Very high60 Ų6056.9 Ų56.928%0.2826%0.263SS..Hα-helixtrans-63-41.4179.7-149.763.1-123.600111.6E69 L70 M75 K76 V77 A119E69-E73 PolarHBondContact O-N 3.45Å; L70-E73 PolarHBondContact O-N 3.12Å; E73-M75 PolarHBondContact O-N 2.95Å; E73-K76 WeakPolarHBondContact O-CB 3.26Å; E73-K76 PolarHBondContact O-N 3.14Å; E73-K76 VanDerWaalsContact OE1-CD 3.32Å; E73-K76 WeakPolarHBondContact OE1-CD 3.48Å; E73-K76 WeakPolarHBondContact OE1-CE 3.32Å; E73-K76 IonicContact OE1-NZ 3.82Å; E73-K76 PolarHBondContact OE1-NZ 2.6Å; E73-K76 WeakPolarHBondContact OE2-CE 3.36Å; E73-K76 IonicContact OE2-NZ 2.72Å; E73-K76 PolarHBondContact OE2-NZ 2.71Å; E73-V77 PolarHBondContact O-N 2.8Å; E73-V77 VanDerWaalsContact O-N 3.11Å; E73-A119 HydrophobicContact CB-CB 4.11Å; E73-A119 HydrophobicContact CG-CB 4.37Å
74K98.2Very high97.3Very high43 Ų4357.9 Ų57.919%0.18726%0.264CS..Hα-helixtrans-56.5-33.4171.6-71.8-169.4177.5-146.40113.6V35 G38 L70 L72 G78 I115 A119V35-K74 HydrophobicContact CG1-CB 4.02Å; V35-K74 HydrophobicContact CG1-CD 4.24Å; G38-K74 WeakPolarHBondContact CA-O 3.39Å; L70-K74 WeakPolarHBondContact O-CG 3.1Å; L70-K74 PolarHBondContact O-N 3.48Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.2Å; K74-G78 PolarHBondContact O-N 3.09Å; K74-I115 HydrophobicContact CB-CG2 3.89Å; K74-I115 HydrophobicContact CD-CG2 4.22Å; K74-I115 HydrophobicContact CG-CG2 3.93Å; K74-A119 HydrophobicContact CB-CB 4.31Å; K74-A119 HydrophobicContact CG-CB 3.4Å; K74-A119 VanDerWaalsContact CG-CB 3.4Å
75M98.2Very high97.4Very high1 Ų157.3 Ų57.31%0.00526%0.26CS..Hα-helixtrans-76.1-23.1174.5-63-57.4-51.600113.2L10 V13 A33 G38 W40 W67 E71 L72 E73L10-M75 HydrophobicContact CD2-CB 4.17Å; L10-M75 HydrophobicContact CD2-CG 4.08Å; V13-M75 HydrophobicContact CG1-CB 4.49Å; V13-M75 WeakPolarHBondContact CG1-O 3.44Å; A33-M75 HydrophobicContact CB-CE 3.69Å; A33-M75 HydrophobicContact CB-SD 3.84Å; G38-M75 VanDerWaalsContact O-CE 3.32Å; G38-M75 WeakPolarHBondContact O-CE 3.47Å; W40-M75 HydrophobicContact CD2-CE 4.43Å; W40-M75 HydrophobicContact CG-CE 4.39Å; W40-M75 HydrophobicContact CZ2-CE 4.36Å; W40-M75 VanDerWaalsContact NE1-CE 3.31Å; W67-M75 HydrophobicContact CH2-CG 3.96Å; W67-M75 HydrophobicContact CH2-SD 4.24Å; W67-M75 HydrophobicContact CZ3-CG 3.62Å; W67-M75 HydrophobicContact CZ3-SD 4.34Å; E71-M75 WeakPolarHBondContact O-CG 3.28Å; L72-M75 WeakPolarHBondContact O-CB 3.19Å; L72-M75 PolarHBondContact O-N 3.03Å; L72-M75 VanDerWaalsContact O-N 3.07Å; E73-M75 PolarHBondContact O-N 2.95Å
76K97.2Very high97.4Very high90 Ų9056.2 Ų56.239%0.39125%0.254SS..Hα-helixtrans-79.5-43.6176.7-62-171.3-138147.90112.7V13 L72 E73V13-K76 HydrophobicContact CG2-CG 3.97Å; L72-K76 PolarHBondContact O-N 3.46Å; E73-K76 WeakPolarHBondContact O-CB 3.26Å; E73-K76 PolarHBondContact O-N 3.14Å; E73-K76 VanDerWaalsContact OE1-CD 3.32Å; E73-K76 WeakPolarHBondContact OE1-CD 3.48Å; E73-K76 WeakPolarHBondContact OE1-CE 3.32Å; E73-K76 IonicContact OE1-NZ 3.82Å; E73-K76 PolarHBondContact OE1-NZ 2.6Å; E73-K76 WeakPolarHBondContact OE2-CE 3.36Å; E73-K76 IonicContact OE2-NZ 2.72Å; E73-K76 PolarHBondContact OE2-NZ 2.71Å
77V97.1Very high97.4Very high36 Ų3648.7 Ų48.722%0.21822%0.221CC..Hα-helixtrans-73.2-33.2-177.9-60.10000112.3E73 H82 I115 E118 A119E73-V77 PolarHBondContact O-N 2.8Å; E73-V77 VanDerWaalsContact O-N 3.11Å; V77-H82 PolarHBondContact O-ND1 3.44Å; V77-H82 VanDerWaalsContact O-ND1 3.17Å; V77-I115 HydrophobicContact CG2-CD1 3.94Å; V77-I115 HydrophobicContact CG2-CG2 4.32Å; V77-E118 HydrophobicContact CB-CB 4.17Å; V77-E118 HydrophobicContact CG1-CB 4.09Å; V77-E118 HydrophobicContact CG2-CB 4.22Å; V77-A119 HydrophobicContact CG2-CB 4.29Å
78G97.4Very high97.3Very high2 Ų250.3 Ų50.32%0.02123%0.234CC..  trans-82.9-135.3177.600000115N17 K74 H82N17-G78 PolarHBondContact ND2-O 3.3Å; K74-G78 PolarHBondContact O-N 3.09Å; G78-H82 PolarHBondContact O-ND1 3.2Å; G78-H82 VanDerWaalsContact O-ND1 3.13Å
79G97.5Very high97.2Very high0 Ų047.4 Ų47.40%023%0.232CC..  trans109.6154.2-17400000112.7N19 G38 R81 H82 A83N19-G79 VanDerWaalsContact OD1-CA 3.22Å; N19-G79 WeakPolarHBondContact OD1-CA 3.49Å; G38-G79 VanDerWaalsContact O-CA 3.31Å; G38-G79 WeakPolarHBondContact O-CA 3.45Å; G38-G79 PolarHBondContact O-N 3.23Å; G79-R81 VanDerWaalsContact C-N 3.35Å; G79-R81 PolarHBondContact O-N 3.34Å; G79-H82 PolarHBondContact O-N 3Å; G79-A83 PolarHBondContact O-N 3.48Å
80N98.4Very high97.1Very high8 Ų843.6 Ų43.64%0.04321%0.214CC..Hα-helixtrans-58.7-43-168.4-68.5-8000113.1N17 A18 N19 L21 F23 I39 W40 K84N17-N80 WeakPolarHBondContact O-CB 3.19Å; N17-N80 PolarHBondContact O-N 2.76Å; A18-N80 PolarHBondContact O-ND2 3.31Å; N19-N80 PolarHBondContact OD1-N 2.87Å; L21-N80 PolarHBondContact O-ND2 3.33Å; F23-N80 HydrophobicContact CD2-CB 3.98Å; F23-N80 WeakPolarHBondContact CE2-O 3.32Å; I39-N80 WeakPolarHBondContact CA-OD1 3.48Å; W40-N80 PolarHBondContact N-OD1 3.07Å; N80-K84 WeakPolarHBondContact O-CB 3.22Å; N80-K84 PolarHBondContact O-N 3.49Å
81R97.7Very high96.9Very high126 Ų12644.7 Ų44.748%0.47523%0.227SC..Hα-helixtrans-62.4-53.5177.2177.6174.162.9176.20.2111.7N17 G79 A83 K84 E85N17-R81 HydrophobicContact CB-CB 4.04Å; N17-R81 WeakPolarHBondContact O-CB 3.38Å; N17-R81 PolarHBondContact O-N 3.27Å; N17-R81 PolarHBondContact OD1-NE 3.18Å; N17-R81 PolarHBondContact OD1-NH2 3.22Å; G79-R81 VanDerWaalsContact C-N 3.35Å; G79-R81 PolarHBondContact O-N 3.34Å; R81-A83 VanDerWaalsContact C-N 3.27Å; R81-A83 PolarHBondContact O-N 2.65Å; R81-K84 PolarHBondContact O-N 3.11Å; R81-E85 VanDerWaalsContact CD-OE1 3.27Å; R81-E85 WeakPolarHBondContact CD-OE1 3.37Å; R81-E85 HydrophobicContact CG-CG 4.23Å; R81-E85 WeakPolarHBondContact CG-OE1 3.37Å; R81-E85 WeakPolarHBondContact CG-OE2 3.43Å; R81-E85 WeakPolarHBondContact O-CB 3.5Å; R81-E85 WeakPolarHBondContact O-CG 3.42Å; R81-E85 PolarHBondContact O-N 2.92Å
82H96.9Very high96.6Very high77 Ų7746.1 Ų46.136%0.35624%0.235SC..Hα-helixtrans-56.8-41.7178.7-66.4179.5000111.7N17 V77 G78 G79 E85 F86N17-H82 PolarHBondContact ND2-CD2 2.99Å; N17-H82 PolarHBondContact ND2-CE1 2.8Å; N17-H82 PolarHBondContact ND2-ND1 3.35Å; N17-H82 PolarHBondContact ND2-NE2 2.93Å; V77-H82 PolarHBondContact O-ND1 3.44Å; V77-H82 VanDerWaalsContact O-ND1 3.17Å; G78-H82 PolarHBondContact O-ND1 3.2Å; G78-H82 VanDerWaalsContact O-ND1 3.13Å; G79-H82 PolarHBondContact O-N 3Å; H82-E85 IonicContact CD2-OE2 3.95Å; H82-F86 VanDerWaalsContact O-CB 3.29Å; H82-F86 WeakPolarHBondContact O-CB 3.43Å; H82-F86 PolarHBondContact O-N 3.5Å
83A97.7Very high96.3Very high1 Ų149 Ų491%0.00825%0.246CC..Hα-helixtrans-64.6-43.5175.900000112.2F23 I39 G79 R81 F86 F87 L111F23-A83 HydrophobicContact CE2-CB 3.75Å; F23-A83 HydrophobicContact CZ-CB 3.84Å; I39-A83 HydrophobicContact CG2-CB 3.51Å; G79-A83 PolarHBondContact O-N 3.48Å; R81-A83 VanDerWaalsContact C-N 3.27Å; R81-A83 PolarHBondContact O-N 2.65Å; A83-F86 PolarHBondContact O-N 2.95Å; A83-F87 WeakPolarHBondContact O-CD2 3.39Å; A83-F87 PolarHBondContact O-N 2.99Å; A83-L111 HydrophobicContact CB-CD2 4.02Å
84K96.2Very high96Very high79 Ų7953.2 Ų53.234%0.34326%0.26SS..Hα-helixtrans-64.7-45.2177.7-176.5167.5178.61700111.6F23 N80 R81 F87 V88F23-K84 HydrophobicContact CE2-CB 4.08Å; N80-K84 WeakPolarHBondContact O-CB 3.22Å; N80-K84 PolarHBondContact O-N 3.49Å; R81-K84 PolarHBondContact O-N 3.11Å; K84-F87 PolarHBondContact O-N 3.19Å; K84-V88 WeakPolarHBondContact O-CG2 3.44Å; K84-V88 PolarHBondContact O-N 3.27Å
85E97Very high95.6Very high102 Ų10253.9 Ų53.948%0.47727%0.268SS..Hα-helixtrans-59.5-46.3176.1-71.3161.1167.400111R81 H82 V88 S89R81-E85 VanDerWaalsContact CD-OE1 3.27Å; R81-E85 WeakPolarHBondContact CD-OE1 3.37Å; R81-E85 HydrophobicContact CG-CG 4.23Å; R81-E85 WeakPolarHBondContact CG-OE1 3.37Å; R81-E85 WeakPolarHBondContact CG-OE2 3.43Å; R81-E85 WeakPolarHBondContact O-CB 3.5Å; R81-E85 WeakPolarHBondContact O-CG 3.42Å; R81-E85 PolarHBondContact O-N 2.92Å; H82-E85 IonicContact CD2-OE2 3.95Å; E85-V88 PolarHBondContact O-N 2.88Å; E85-S89 PolarHBondContact O-N 3.34Å
86F97Very high95.2Very high16 Ų1659.5 Ų59.57%0.0729%0.294CS..Hα-helixtrans-63.7-42.2176.9-170.8-86.4000112.8H82 A83 V88 S89 Q90 A107 L110 L111 K114 W124H82-F86 VanDerWaalsContact O-CB 3.29Å; H82-F86 WeakPolarHBondContact O-CB 3.43Å; H82-F86 PolarHBondContact O-N 3.5Å; A83-F86 PolarHBondContact O-N 2.95Å; F86-V88 VanDerWaalsContact C-N 3.33Å; F86-V88 PolarHBondContact O-N 3.21Å; F86-S89 PolarHBondContact O-N 3.36Å; F86-S89 PolarHBondContact O-OG 3.31Å; F86-S89 VanDerWaalsContact O-OG 3.05Å; F86-Q90 HydrophobicContact CD1-CG 4.11Å; F86-Q90 HydrophobicContact CE1-CG 3.73Å; F86-Q90 HydrophobicContact CZ-CG 4.21Å; F86-Q90 VanDerWaalsContact O-CG 3.28Å; F86-Q90 WeakPolarHBondContact O-CG 3.32Å; F86-Q90 PolarHBondContact O-N 3.08Å; F86-A107 WeakPolarHBondContact CE1-O 3.47Å; F86-L110 HydrophobicContact CE1-CB 4.07Å; F86-L110 HydrophobicContact CZ-CB 3.88Å; F86-L111 HydrophobicContact CB-CD1 4.18Å; F86-L111 HydrophobicContact CD1-CB 3.74Å; F86-L111 HydrophobicContact CD1-CD1 3.91Å; F86-L111 HydrophobicContact CD1-CD2 4.35Å; F86-L111 HydrophobicContact CD1-CG 4.2Å; F86-L111 HydrophobicContact CD2-CD1 4.5Å; F86-L111 HydrophobicContact CE1-CB 3.77Å; F86-L111 HydrophobicContact CE1-CD1 4.48Å; F86-L111 HydrophobicContact CG-CD1 3.92Å; F86-K114 HydrophobicContact CD2-CD 4.15Å; F86-K114 HydrophobicContact CE2-CD 3.96Å; F86-W124 AromaticContact CE2-CH2 3.79Å; F86-W124 HydrophobicContact CE2-CH2 3.79Å; F86-W124 AromaticContact CE2-CZ3 3.99Å; F86-W124 HydrophobicContact CE2-CZ3 3.99Å; F86-W124 AromaticContact CZ-CH2 3.85Å; F86-W124 HydrophobicContact CZ-CH2 3.85Å
87F96.6Very high94.9Very high7 Ų757 Ų573%0.03128%0.283CS..Hα-helixtrans-61.8-41.3175.5-83.6-64.4000111.8F23 A83 K84 S89 Q90 Y93 W97 Y103 A107 A108 L111F23-F87 HydrophobicContact CE1-CE2 4.16Å; F23-F87 AromaticContact CZ-CD2 3.9Å; F23-F87 HydrophobicContact CZ-CD2 3.9Å; F23-F87 AromaticContact CZ-CE2 3.94Å; F23-F87 HydrophobicContact CZ-CE2 3.94Å; A83-F87 WeakPolarHBondContact O-CD2 3.39Å; A83-F87 PolarHBondContact O-N 2.99Å; K84-F87 PolarHBondContact O-N 3.19Å; F87-S89 VanDerWaalsContact C-N 3.35Å; F87-Q90 PolarHBondContact O-N 3.27Å; F87-Y93 HydrophobicContact CB-CD2 4.31Å; F87-Y93 HydrophobicContact CB-CE2 4.39Å; F87-Y93 VanDerWaalsContact O-CB 3.3Å; F87-Y93 WeakPolarHBondContact O-CB 3.29Å; F87-Y93 WeakPolarHBondContact O-CD2 3.36Å; F87-W97 HydrophobicContact CD1-CH2 4.22Å; F87-W97 AromaticContact CD1-CZ3 3.76Å; F87-W97 HydrophobicContact CD1-CZ3 3.76Å; F87-W97 HydrophobicContact CE1-CZ3 4.32Å; F87-Y103 HydrophobicContact CZ-CE1 4.27Å; F87-A107 HydrophobicContact CD1-CB 3.81Å; F87-A107 HydrophobicContact CE1-CB 4.12Å; F87-A108 HydrophobicContact CE1-CB 3.95Å; F87-A108 HydrophobicContact CZ-CB 4.13Å; F87-L111 HydrophobicContact CD2-CD2 4.26Å; F87-L111 HydrophobicContact CE2-CD2 3.75Å; F87-L111 HydrophobicContact CZ-CD2 4.09Å
88V95.8Very high94.8Very high64 Ų6457.2 Ų57.239%0.38829%0.286SS..Hα-helixtrans-70.2-28.8179.6172.60000112.5K84 E85 F86 Q90 Y93K84-V88 WeakPolarHBondContact O-CG2 3.44Å; K84-V88 PolarHBondContact O-N 3.27Å; E85-V88 PolarHBondContact O-N 2.88Å; F86-V88 VanDerWaalsContact C-N 3.33Å; F86-V88 PolarHBondContact O-N 3.21Å; V88-Q90 VanDerWaalsContact C-N 3.32Å; V88-Q90 PolarHBondContact O-N 3.15Å; V88-Y93 HydrophobicContact CG2-CE1 4Å; V88-Y93 HydrophobicContact CG2-CE2 4.21Å
89S95.3Very high94.7Very high83 Ų8359.7 Ų59.758%0.5830%0.296SS*.Hα-helixtrans-78.8-10.6179.170.40000114.6E85 F86 F87E85-S89 PolarHBondContact O-N 3.34Å; F86-S89 PolarHBondContact O-N 3.36Å; F86-S89 PolarHBondContact O-OG 3.31Å; F86-S89 VanDerWaalsContact O-OG 3.05Å; F87-S89 VanDerWaalsContact C-N 3.35Å
90Q94.9Very high94.6Very high8 Ų864.5 Ų64.54%0.03732%0.319CS..SBendtrans-87.5141.1-174.6-74.1-68.9-44.200112.6F86 F87 V88 D92 Y93 A107 L110 E126F86-Q90 HydrophobicContact CD1-CG 4.11Å; F86-Q90 HydrophobicContact CE1-CG 3.73Å; F86-Q90 HydrophobicContact CZ-CG 4.21Å; F86-Q90 VanDerWaalsContact O-CG 3.28Å; F86-Q90 WeakPolarHBondContact O-CG 3.32Å; F86-Q90 PolarHBondContact O-N 3.08Å; F87-Q90 PolarHBondContact O-N 3.27Å; V88-Q90 VanDerWaalsContact C-N 3.32Å; V88-Q90 PolarHBondContact O-N 3.15Å; Q90-D92 VanDerWaalsContact C-N 3.25Å; Q90-D92 PolarHBondContact O-N 2.84Å; Q90-Y93 WeakPolarHBondContact O-CB 3.45Å; Q90-Y93 PolarHBondContact O-N 2.9Å; Q90-A107 HydrophobicContact CB-CB 3.6Å; Q90-A107 HydrophobicContact CG-CB 3.73Å; Q90-L110 VanDerWaalsContact OE1-CD1 3.23Å; Q90-E126 PolarHBondContact NE2-OE1 3.3Å
91P92.1Very high94.5Very high120 Ų12068.5 Ų68.578%0.77934%0.337SS*.THydrogen-bonded Turntrans-72.2-13.3-172.530.1-36.5000114.4
92D91Very high94.5Very high45 Ų4563.6 Ų63.624%0.24132%0.319CS..THydrogen-bonded Turntrans-89.90.3171.962.1-47.6000113.9Q90 W97 K106 A107Q90-D92 VanDerWaalsContact C-N 3.25Å; Q90-D92 PolarHBondContact O-N 2.84Å; D92-W97 WeakPolarHBondContact O-CZ2 3.43Å; D92-K106 WeakPolarHBondContact OD2-CA 3.49Å; D92-K106 WeakPolarHBondContact OD2-CB 3.18Å; D92-K106 PolarHBondContact OD2-N 3.35Å; D92-A107 PolarHBondContact OD1-N 2.64Å; D92-A107 PolarHBondContact OD2-N 2.91Å
93Y92.4Very high94.5Very high61 Ų6160 Ų6024%0.23930%0.302CS..  trans-56136.1-177.2-177-114.4000113.9F87 V88 Q90 P95 W97F87-Y93 HydrophobicContact CB-CD2 4.31Å; F87-Y93 HydrophobicContact CB-CE2 4.39Å; F87-Y93 VanDerWaalsContact O-CB 3.3Å; F87-Y93 WeakPolarHBondContact O-CB 3.29Å; F87-Y93 WeakPolarHBondContact O-CD2 3.36Å; V88-Y93 HydrophobicContact CG2-CE1 4Å; V88-Y93 HydrophobicContact CG2-CE2 4.21Å; Q90-Y93 WeakPolarHBondContact O-CB 3.45Å; Q90-Y93 PolarHBondContact O-N 2.9Å; Y93-P95 HydrophobicContact CE1-CB 4.39Å; Y93-W97 HydrophobicContact CD2-CE3 4.21Å; Y93-W97 HydrophobicContact CD2-CH2 4.13Å; Y93-W97 AromaticContact CD2-CZ3 3.67Å; Y93-W97 HydrophobicContact CD2-CZ3 3.67Å; Y93-W97 HydrophobicContact CE2-CE3 4.42Å; Y93-W97 HydrophobicContact CE2-CZ3 4.19Å
94R92Very high94.4Very high149 Ų14964 Ų6456%0.56232%0.324SS*.  trans-139.4123.4171-61-178.2-174.5177.1-0.4108.9Q96 W97R94-Q96 PolarHBondContact O-N 3.09Å; R94-W97 HydrophobicContact CB-CD2 4.22Å; R94-W97 HydrophobicContact CB-CG 4.04Å; R94-W97 PolarHBondContact O-N 2.81Å
95P88.8Confident94.4Very high57 Ų5760.8 Ų60.837%0.3731%0.311SS..THydrogen-bonded Turntrans-61.9-31.5178.524.3-33.6000112.4Y93 W97Y93-P95 HydrophobicContact CE1-CB 4.39Å; P95-W97 PolarHBondContact O-N 2.78Å
96Q90.7Very high94.3Very high118 Ų11859.6 Ų59.655%0.55130%0.304SS*.THydrogen-bonded Turntrans-91.521.5-178.874.5-81.86200115R94 S98R94-Q96 PolarHBondContact O-N 3.09Å; Q96-S98 PolarHBondContact O-N 3.01Å
97W91.2Very high94.2Very high39 Ų3958.8 Ų58.815%0.14830%0.301CS..  trans-56.3136.2173.5-86.5-38.3000111.9F87 D92 Y93 R94 P95 E101 K102 A107F87-W97 HydrophobicContact CD1-CH2 4.22Å; F87-W97 AromaticContact CD1-CZ3 3.76Å; F87-W97 HydrophobicContact CD1-CZ3 3.76Å; F87-W97 HydrophobicContact CE1-CZ3 4.32Å; D92-W97 WeakPolarHBondContact O-CZ2 3.43Å; Y93-W97 HydrophobicContact CD2-CE3 4.21Å; Y93-W97 HydrophobicContact CD2-CH2 4.13Å; Y93-W97 AromaticContact CD2-CZ3 3.67Å; Y93-W97 HydrophobicContact CD2-CZ3 3.67Å; Y93-W97 HydrophobicContact CE2-CE3 4.42Å; Y93-W97 HydrophobicContact CE2-CZ3 4.19Å; R94-W97 HydrophobicContact CB-CD2 4.22Å; R94-W97 HydrophobicContact CB-CG 4.04Å; R94-W97 PolarHBondContact O-N 2.81Å; P95-W97 PolarHBondContact O-N 2.78Å; W97-E101 HydrophobicContact CG-CB 4.4Å; W97-K102 HydrophobicContact CB-CB 4.06Å; W97-K102 HydrophobicContact CD2-CB 4.42Å; W97-K102 HydrophobicContact CE3-CB 4.15Å; W97-K102 HydrophobicContact CE3-CG 4.11Å; W97-K102 HydrophobicContact CG-CB 4.46Å; W97-A107 HydrophobicContact CH2-CB 3.95Å
98S95.2Very high94.3Very high40 Ų4058.5 Ų58.528%0.2830%0.299SS..  trans-65.3156.5161.570.70000110.8Q96 Q100 E101 K102Q96-S98 PolarHBondContact O-N 3.01Å; S98-Q100 PolarHBondContact O-N 2.53Å; S98-Q100 VanDerWaalsContact O-N 3.15Å; S98-E101 WeakPolarHBondContact CB-OE2 3.44Å; S98-E101 PolarHBondContact N-OE2 3.34Å; S98-E101 PolarHBondContact O-N 3.36Å; S98-E101 VanDerWaalsContact O-N 3.12Å; S98-E101 VanDerWaalsContact OG-CD 3.3Å; S98-E101 VanDerWaalsContact OG-CG 3.28Å; S98-E101 WeakPolarHBondContact OG-CG 3.46Å; S98-E101 PolarHBondContact OG-N 3.15Å; S98-E101 PolarHBondContact OG-OE2 3.17Å; S98-K102 WeakPolarHBondContact O-CB 3.42Å; S98-K102 PolarHBondContact O-N 2.8Å
99F94.9Very high94.3Very high54 Ų5456.2 Ų56.224%0.23729%0.288CS..Hα-helixtrans-56.4-32.5179.7-178-97.5000113.1E24 K48 H49 L52 Y103E24-F99 HydrophobicContact CG-CE2 4.08Å; K48-F99 HydrophobicContact CB-CD1 4.29Å; K48-F99 HydrophobicContact CB-CE1 3.66Å; K48-F99 HydrophobicContact CB-CE2 4.25Å; K48-F99 HydrophobicContact CB-CZ 3.64Å; K48-F99 WeakPolarHBondContact O-CE1 3.4Å; H49-F99 AromaticContact CD2-CE2 3.93Å; H49-F99 AromaticContact CD2-CZ 3.69Å; H49-F99 AromaticContact CG-CZ 3.91Å; H49-F99 AromaticContact NE2-CE2 3.85Å; H49-F99 AromaticContact NE2-CZ 3.98Å; L52-F99 HydrophobicContact CD1-CE1 3.8Å; L52-F99 HydrophobicContact CD1-CZ 3.87Å; L52-F99 HydrophobicContact CD2-CD1 3.97Å; L52-F99 HydrophobicContact CD2-CE1 3.6Å; L52-F99 HydrophobicContact CD2-CZ 4.48Å; L52-F99 HydrophobicContact CG-CE1 3.66Å; L52-F99 HydrophobicContact CG-CZ 4.22Å; F99-Y103 HydrophobicContact CD2-CD2 4.32Å; F99-Y103 HydrophobicContact CD2-CE2 4.11Å; F99-Y103 HydrophobicContact CE2-CD2 4.04Å; F99-Y103 AromaticContact CE2-CE2 3.65Å; F99-Y103 HydrophobicContact CE2-CE2 3.65Å; F99-Y103 HydrophobicContact CZ-CD2 4.17Å; F99-Y103 HydrophobicContact CZ-CE2 4.1Å; F99-Y103 WeakPolarHBondContact O-CD2 3.24Å
100Q95.5Very high94.4Very high101 Ų10152.3 Ų52.347%0.47226%0.26SS..Hα-helixtrans-72.9-47.7175.9-169.968.512.800111.5L52 S98 Y103 N104L52-Q100 VanDerWaalsContact CD2-OE1 3.24Å; S98-Q100 PolarHBondContact O-N 2.53Å; S98-Q100 VanDerWaalsContact O-N 3.15Å; Q100-Y103 PolarHBondContact O-N 2.81Å; Q100-N104 PolarHBondContact NE2-ND2 2.87Å; Q100-N104 VanDerWaalsContact NE2-ND2 3.17Å; Q100-N104 PolarHBondContact O-N 3.21Å; Q100-N104 VanDerWaalsContact O-N 3.11Å; Q100-N104 PolarHBondContact O-ND2 3.33Å
101E95.7Very high94.5Very high92 Ų9252.1 Ų52.143%0.4326%0.259SS..Hα-helixtrans-62-45.2179.5-69.6164.8118.400111.7W97 S98 Y103 N104 S105W97-E101 HydrophobicContact CG-CB 4.4Å; S98-E101 WeakPolarHBondContact CB-OE2 3.44Å; S98-E101 PolarHBondContact N-OE2 3.34Å; S98-E101 PolarHBondContact O-N 3.36Å; S98-E101 VanDerWaalsContact O-N 3.12Å; S98-E101 VanDerWaalsContact OG-CD 3.3Å; S98-E101 VanDerWaalsContact OG-CG 3.28Å; S98-E101 WeakPolarHBondContact OG-CG 3.46Å; S98-E101 PolarHBondContact OG-N 3.15Å; S98-E101 PolarHBondContact OG-OE2 3.17Å; E101-Y103 PolarHBondContact O-N 2.9Å; E101-Y103 VanDerWaalsContact O-N 3.15Å; E101-N104 CarbonylContact O-C 3.55Å; E101-N104 PolarHBondContact O-N 2.8Å; E101-N104 VanDerWaalsContact O-N 3.14Å; E101-S105 PolarHBondContact O-N 3.08Å
102K96.9Very high94.8Very high23 Ų2349 Ų4910%0.123%0.232CC..Hα-helixtrans-47.9-44.9177.3177.9179.4174.5-177.30112E24 W97 S98 S105 A108E24-K102 IonicContact OE1-NZ 3.94Å; E24-K102 PolarHBondContact OE1-NZ 3.11Å; E24-K102 IonicContact OE2-NZ 3.81Å; E24-K102 PolarHBondContact OE2-NZ 3.14Å; W97-K102 HydrophobicContact CB-CB 4.06Å; W97-K102 HydrophobicContact CD2-CB 4.42Å; W97-K102 HydrophobicContact CE3-CB 4.15Å; W97-K102 HydrophobicContact CE3-CG 4.11Å; W97-K102 HydrophobicContact CG-CB 4.46Å; S98-K102 WeakPolarHBondContact O-CB 3.42Å; S98-K102 PolarHBondContact O-N 2.8Å; K102-S105 WeakPolarHBondContact O-CB 3.47Å; K102-S105 PolarHBondContact O-OG 2.61Å; K102-A108 WeakPolarHBondContact O-CB 3.24Å
103Y97.4Very high95Very high0 Ų048.4 Ų48.40%023%0.229CC..Hα-helixtrans-92.1-14.1-175.8-74-62.8000115.6F23 E24 Y37 I39 H49 L52 F87 F99 Q100 E101 A108 R112F23-Y103 WeakPolarHBondContact CE1-OH 3.48Å; E24-Y103 WeakPolarHBondContact OE1-CE2 3.4Å; E24-Y103 PolarHBondContact OE1-OH 3.28Å; Y37-Y103 HydrophobicContact CD1-CE1 4.44Å; Y37-Y103 HydrophobicContact CD2-CD1 4.47Å; Y37-Y103 AromaticContact CD2-CE1 3.94Å; Y37-Y103 HydrophobicContact CD2-CE1 3.94Å; Y37-Y103 HydrophobicContact CE1-CD1 4.03Å; Y37-Y103 HydrophobicContact CE1-CE1 4.08Å; Y37-Y103 AromaticContact CE2-CD1 3.65Å; Y37-Y103 HydrophobicContact CE2-CD1 3.65Å; Y37-Y103 AromaticContact CE2-CE1 3.56Å; Y37-Y103 HydrophobicContact CE2-CE1 3.56Å; Y37-Y103 HydrophobicContact CG-CE1 4.39Å; Y37-Y103 AromaticContact CZ-CD1 3.41Å; Y37-Y103 VanDerWaalsContact CZ-CD1 3.41Å; Y37-Y103 AromaticContact CZ-CE1 3.66Å; Y37-Y103 WeakPolarHBondContact OH-CD1 3.43Å; I39-Y103 WeakPolarHBondContact CD1-OH 3.12Å; H49-Y103 AromaticContact CE1-CE2 3.58Å; H49-Y103 AromaticContact CE1-CZ 3.43Å; H49-Y103 VanDerWaalsContact CE1-CZ 3.43Å; H49-Y103 PolarHBondContact CE1-OH 2.91Å; L52-Y103 HydrophobicContact CD1-CD2 3.62Å; L52-Y103 HydrophobicContact CD1-CE2 4.41Å; L52-Y103 HydrophobicContact CD1-CG 3.76Å; F87-Y103 HydrophobicContact CZ-CE1 4.27Å; F99-Y103 HydrophobicContact CD2-CD2 4.32Å; F99-Y103 HydrophobicContact CD2-CE2 4.11Å; F99-Y103 HydrophobicContact CE2-CD2 4.04Å; F99-Y103 AromaticContact CE2-CE2 3.65Å; F99-Y103 HydrophobicContact CE2-CE2 3.65Å; F99-Y103 HydrophobicContact CZ-CD2 4.17Å; F99-Y103 HydrophobicContact CZ-CE2 4.1Å; F99-Y103 WeakPolarHBondContact O-CD2 3.24Å; Q100-Y103 PolarHBondContact O-N 2.81Å; E101-Y103 PolarHBondContact O-N 2.9Å; E101-Y103 VanDerWaalsContact O-N 3.15Å; Y103-A108 HydrophobicContact CD1-CB 4.47Å; Y103-R112 PolarHBondContact O-NH1 3.26Å
104N95.9Very high95.3Very high86 Ų8648.1 Ų48.146%0.4623%0.229SC..Hα-helixtrans-92.5-4.7168.2-71.3-89000113Q100 E101Q100-N104 PolarHBondContact NE2-ND2 2.87Å; Q100-N104 VanDerWaalsContact NE2-ND2 3.17Å; Q100-N104 PolarHBondContact O-N 3.21Å; Q100-N104 VanDerWaalsContact O-N 3.11Å; Q100-N104 PolarHBondContact O-ND2 3.33Å; E101-N104 CarbonylContact O-C 3.55Å; E101-N104 PolarHBondContact O-N 2.8Å; E101-N104 VanDerWaalsContact O-N 3.14Å
105S95.8Very high95.6Very high11 Ų1141.3 Ų41.38%0.07720%0.203CC..SBendtrans-60.2160.9177.169.90000113.4E101 K102 A108 A109E101-S105 PolarHBondContact O-N 3.08Å; K102-S105 WeakPolarHBondContact O-CB 3.47Å; K102-S105 PolarHBondContact O-OG 2.61Å; S105-A108 PolarHBondContact O-N 3.01Å; S105-A108 VanDerWaalsContact OG-CB 3.31Å; S105-A108 WeakPolarHBondContact OG-CB 3.11Å; S105-A108 PolarHBondContact OG-N 3.17Å; S105-A109 PolarHBondContact O-N 3.07Å; S105-A109 VanDerWaalsContact O-N 3.15Å
106K95Very high95.9Very high77 Ų7740.2 Ų40.234%0.33520%0.199SC..Hα-helixtrans-70.9-37.9174.5-171.3-170.4172.7-149.50110.1D92 A108 A109 L110 N130D92-K106 WeakPolarHBondContact OD2-CA 3.49Å; D92-K106 WeakPolarHBondContact OD2-CB 3.18Å; D92-K106 PolarHBondContact OD2-N 3.35Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 3.44Å; K106-A109 WeakPolarHBondContact O-CB 3.44Å; K106-A109 PolarHBondContact O-N 3.46Å; K106-A109 VanDerWaalsContact O-N 3.11Å; K106-L110 HydrophobicContact CG-CD1 4.24Å; K106-L110 WeakPolarHBondContact O-CG 3.49Å; K106-L110 PolarHBondContact O-N 2.91Å; K106-N130 WeakPolarHBondContact CE-OD1 3.36Å; K106-N130 PolarHBondContact NZ-OD1 3.44Å
107A96.1Very high96.2Very high0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-51.2-47.4168.900000112.3F86 F87 Q90 D92 W97 A109 L110 L111F86-A107 WeakPolarHBondContact CE1-O 3.47Å; F87-A107 HydrophobicContact CD1-CB 3.81Å; F87-A107 HydrophobicContact CE1-CB 4.12Å; Q90-A107 HydrophobicContact CB-CB 3.6Å; Q90-A107 HydrophobicContact CG-CB 3.73Å; D92-A107 PolarHBondContact OD1-N 2.64Å; D92-A107 PolarHBondContact OD2-N 2.91Å; W97-A107 HydrophobicContact CH2-CB 3.95Å; A107-A109 PolarHBondContact O-N 3.2Å; A107-L110 PolarHBondContact O-N 2.82Å; A107-L111 WeakPolarHBondContact O-CB 3.17Å; A107-L111 PolarHBondContact O-N 2.92Å
108A97.1Very high96.5Very high0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-64.8-39.9176.900000112.3Y37 F87 K102 Y103 S105 K106 L111 R112Y37-A108 HydrophobicContact CE1-CB 4.22Å; F87-A108 HydrophobicContact CE1-CB 3.95Å; F87-A108 HydrophobicContact CZ-CB 4.13Å; K102-A108 WeakPolarHBondContact O-CB 3.24Å; Y103-A108 HydrophobicContact CD1-CB 4.47Å; S105-A108 PolarHBondContact O-N 3.01Å; S105-A108 VanDerWaalsContact OG-CB 3.31Å; S105-A108 WeakPolarHBondContact OG-CB 3.11Å; S105-A108 PolarHBondContact OG-N 3.17Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 3.44Å; A108-L111 PolarHBondContact O-N 3.48Å; A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.37Å; A108-R112 PolarHBondContact O-N 3.02Å
109A96.5Very high96.6Very high17 Ų1735 Ų3514%0.1418%0.175CC..Hα-helixtrans-62.6-42.4176.100000112.7S105 K106 A107 R112 D113S105-A109 PolarHBondContact O-N 3.07Å; S105-A109 VanDerWaalsContact O-N 3.15Å; K106-A109 WeakPolarHBondContact O-CB 3.44Å; K106-A109 PolarHBondContact O-N 3.46Å; K106-A109 VanDerWaalsContact O-N 3.11Å; A107-A109 PolarHBondContact O-N 3.2Å; A109-R112 PolarHBondContact O-N 3.47Å; A109-D113 PolarHBondContact O-N 3.09Å; A109-D113 VanDerWaalsContact O-N 3.17Å
110L96.8Very high96.7Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-66.5-40.7175.6-68.9165.5000111.7F86 Q90 K106 A107 R112 D113 K114 W124 A129 N133F86-L110 HydrophobicContact CE1-CB 4.07Å; F86-L110 HydrophobicContact CZ-CB 3.88Å; Q90-L110 VanDerWaalsContact OE1-CD1 3.23Å; K106-L110 HydrophobicContact CG-CD1 4.24Å; K106-L110 WeakPolarHBondContact O-CG 3.49Å; K106-L110 PolarHBondContact O-N 2.91Å; A107-L110 PolarHBondContact O-N 2.82Å; L110-R112 VanDerWaalsContact C-N 3.33Å; L110-R112 PolarHBondContact O-N 2.81Å; L110-D113 PolarHBondContact O-N 3.33Å; L110-K114 WeakPolarHBondContact O-CB 3.43Å; L110-K114 PolarHBondContact O-N 3.2Å; L110-W124 HydrophobicContact CB-CZ2 4.29Å; L110-W124 HydrophobicContact CD2-CZ2 4.28Å; L110-A129 HydrophobicContact CD2-CB 3.65Å; L110-N133 WeakPolarHBondContact CD2-ND2 3.49Å
111L97.5Very high96.7Very high5 Ų534.5 Ų34.53%0.02620%0.2CC..Hα-helixtrans-64.2-35.9175.7-173.756.9000112.4Y37 A83 F86 F87 A107 A108 I115Y37-L111 HydrophobicContact CD1-CB 4.37Å; Y37-L111 HydrophobicContact CD1-CD2 3.85Å; Y37-L111 HydrophobicContact CD1-CG 4.01Å; A83-L111 HydrophobicContact CB-CD2 4.02Å; F86-L111 HydrophobicContact CB-CD1 4.18Å; F86-L111 HydrophobicContact CD1-CB 3.74Å; F86-L111 HydrophobicContact CD1-CD1 3.91Å; F86-L111 HydrophobicContact CD1-CD2 4.35Å; F86-L111 HydrophobicContact CD1-CG 4.2Å; F86-L111 HydrophobicContact CD2-CD1 4.5Å; F86-L111 HydrophobicContact CE1-CB 3.77Å; F86-L111 HydrophobicContact CE1-CD1 4.48Å; F86-L111 HydrophobicContact CG-CD1 3.92Å; F87-L111 HydrophobicContact CD2-CD2 4.26Å; F87-L111 HydrophobicContact CE2-CD2 3.75Å; F87-L111 HydrophobicContact CZ-CD2 4.09Å; A107-L111 WeakPolarHBondContact O-CB 3.17Å; A107-L111 PolarHBondContact O-N 2.92Å; A108-L111 PolarHBondContact O-N 3.48Å; L111-I115 HydrophobicContact CD1-CD1 4.4Å; L111-I115 HydrophobicContact CD1-CG1 3.89Å; L111-I115 HydrophobicContact CG-CG1 4.33Å; L111-I115 WeakPolarHBondContact O-CB 3.47Å; L111-I115 VanDerWaalsContact O-CG1 3.25Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 3.15Å
112R97.6Very high96.7Very high53 Ų5336.3 Ų36.320%0.221%0.208CC..Hα-helixtrans-63.3-45173.9-72.5-170.6-64.8-986.7112.2T36 Y37 Y103 A108 A109 L110 A116T36-R112 VanDerWaalsContact CG2-CD 3.47Å; T36-R112 HydrophobicContact CG2-CG 3.51Å; Y37-R112 HydrophobicContact CD1-CG 4.18Å; Y37-R112 HydrophobicContact CE1-CG 3.49Å; Y37-R112 VanDerWaalsContact CE1-CG 3.49Å; Y37-R112 WeakPolarHBondContact OH-CD 3.44Å; Y37-R112 PolarHBondContact OH-NH1 2.97Å; Y103-R112 PolarHBondContact O-NH1 3.26Å; A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.37Å; A108-R112 PolarHBondContact O-N 3.02Å; A109-R112 PolarHBondContact O-N 3.47Å; L110-R112 VanDerWaalsContact C-N 3.33Å; L110-R112 PolarHBondContact O-N 2.81Å; R112-A116 VanDerWaalsContact O-CB 3.26Å; R112-A116 WeakPolarHBondContact O-CB 3.41Å; R112-A116 PolarHBondContact O-N 3.31Å
113D96.9Very high96.6Very high33 Ų3341.9 Ų41.918%0.17624%0.244CC..Hα-helixtrans-66.4-42.5178.1-17772.6000111.2A109 L110 A116 T117 W124 A129 R132A109-D113 PolarHBondContact O-N 3.09Å; A109-D113 VanDerWaalsContact O-N 3.17Å; L110-D113 PolarHBondContact O-N 3.33Å; D113-A116 PolarHBondContact O-N 3Å; D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 2.93Å; D113-T117 PolarHBondContact O-OG1 2.88Å; D113-W124 PolarHBondContact OD2-NE1 3.22Å; D113-A129 WeakPolarHBondContact OD2-CB 3.33Å; D113-R132 IonicContact OD1-NH1 3.71Å
114K97.4Very high96.5Very high56 Ų5643.6 Ų43.624%0.24325%0.25CS..Hα-helixtrans-57.2-58.6173.5-176.2173.4-176.8175.50112.6F86 L110 A116 T117 E118 W124F86-K114 HydrophobicContact CD2-CD 4.15Å; F86-K114 HydrophobicContact CE2-CD 3.96Å; L110-K114 WeakPolarHBondContact O-CB 3.43Å; L110-K114 PolarHBondContact O-N 3.2Å; K114-A116 PolarHBondContact O-N 2.92Å; K114-T117 PolarHBondContact O-N 2.88Å; K114-T117 VanDerWaalsContact O-N 3.09Å; K114-E118 WeakPolarHBondContact CE-OE1 3.37Å; K114-E118 VanDerWaalsContact CE-OE2 3.3Å; K114-E118 WeakPolarHBondContact CE-OE2 3.49Å; K114-E118 HydrophobicContact CG-CG 4.26Å; K114-E118 WeakPolarHBondContact CG-OE2 3.32Å; K114-E118 IonicContact NZ-OE1 3.61Å; K114-E118 WeakPolarHBondContact O-CG 3.42Å; K114-E118 PolarHBondContact O-N 3.48Å; K114-W124 HydrophobicContact CB-CD2 3.67Å; K114-W124 HydrophobicContact CB-CE3 4.15Å; K114-W124 HydrophobicContact CB-CG 3.96Å; K114-W124 HydrophobicContact CB-CH2 4.49Å; K114-W124 HydrophobicContact CB-CZ2 4.07Å; K114-W124 HydrophobicContact CD-CD2 4.11Å; K114-W124 HydrophobicContact CD-CE3 3.69Å; K114-W124 HydrophobicContact CD-CH2 4.48Å; K114-W124 HydrophobicContact CD-CZ3 3.91Å; K114-W124 HydrophobicContact CG-CB 4.3Å; K114-W124 HydrophobicContact CG-CD2 3.69Å; K114-W124 HydrophobicContact CG-CE3 3.82Å; K114-W124 HydrophobicContact CG-CG 3.93Å; K114-W124 HydrophobicContact CG-CZ3 4.4Å
115I97.9Very high96.4Very high5 Ų543.4 Ų43.43%0.02625%0.249CC..Hα-helixtrans-64.3-25.3-179.3-63-67000111.4K74 V77 L111 A119K74-I115 HydrophobicContact CB-CG2 3.89Å; K74-I115 HydrophobicContact CD-CG2 4.22Å; K74-I115 HydrophobicContact CG-CG2 3.93Å; V77-I115 HydrophobicContact CG2-CD1 3.94Å; V77-I115 HydrophobicContact CG2-CG2 4.32Å; L111-I115 HydrophobicContact CD1-CD1 4.4Å; L111-I115 HydrophobicContact CD1-CG1 3.89Å; L111-I115 HydrophobicContact CG-CG1 4.33Å; L111-I115 WeakPolarHBondContact O-CB 3.47Å; L111-I115 VanDerWaalsContact O-CG1 3.25Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 3.15Å; I115-A119 WeakPolarHBondContact O-CB 3.24Å
116A97Very high96.1Very high34 Ų3446.5 Ų46.528%0.28126%0.262SS..Hα-helixtrans-70.8-49.7169.400000112.7R112 D113 K114 A119 S120R112-A116 VanDerWaalsContact O-CB 3.26Å; R112-A116 WeakPolarHBondContact O-CB 3.41Å; R112-A116 PolarHBondContact O-N 3.31Å; D113-A116 PolarHBondContact O-N 3Å; K114-A116 PolarHBondContact O-N 2.92Å; A116-A119 PolarHBondContact O-N 2.86Å; A116-S120 PolarHBondContact O-N 2.91Å; A116-S120 PolarHBondContact O-OG 2.99Å
117T96.8Very high95.9Very high20 Ų2050.3 Ų50.312%0.12328%0.281CS..Hα-helixtrans-65.9-50.8-175.2-55.20000111.9D113 K114 A119 S120 G121 E122 W124D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 2.93Å; D113-T117 PolarHBondContact O-OG1 2.88Å; K114-T117 PolarHBondContact O-N 2.88Å; K114-T117 VanDerWaalsContact O-N 3.09Å; T117-A119 VanDerWaalsContact C-N 3.28Å; T117-A119 PolarHBondContact O-N 2.93Å; T117-S120 PolarHBondContact O-N 2.77Å; T117-S120 VanDerWaalsContact O-N 3.09Å; T117-S120 PolarHBondContact O-OG 2.76Å; T117-G121 PolarHBondContact O-N 2.9Å; T117-E122 HydrophobicContact CG2-CB 3.67Å; T117-E122 PolarHBondContact O-N 2.72Å; T117-W124 HydrophobicContact CG2-CB 4.08Å
118E97.3Very high95.5Very high61 Ų6153.2 Ų53.229%0.28530%0.299SS..Hα-helixtrans-63.4-35.4179.7-65.9178.5151.700111.4V77 K114 S120 G121 W124V77-E118 HydrophobicContact CB-CB 4.17Å; V77-E118 HydrophobicContact CG1-CB 4.09Å; V77-E118 HydrophobicContact CG2-CB 4.22Å; K114-E118 WeakPolarHBondContact CE-OE1 3.37Å; K114-E118 VanDerWaalsContact CE-OE2 3.3Å; K114-E118 WeakPolarHBondContact CE-OE2 3.49Å; K114-E118 HydrophobicContact CG-CG 4.26Å; K114-E118 WeakPolarHBondContact CG-OE2 3.32Å; K114-E118 IonicContact NZ-OE1 3.61Å; K114-E118 WeakPolarHBondContact O-CG 3.42Å; K114-E118 PolarHBondContact O-N 3.48Å; E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 PolarHBondContact O-N 3Å; E118-G121 PolarHBondContact O-N 3.48Å; E118-W124 HydrophobicContact CG-CB 4.13Å
119A97.5Very high95.1Very high8 Ų853.2 Ų53.27%0.06630%0.299CS..Hα-helixtrans-74.9-15.1177.100000114.5L70 E73 K74 V77 I115 A116 T117 G121L70-A119 HydrophobicContact CD1-CB 4.12Å; L70-A119 VanDerWaalsContact CD1-O 3.29Å; L70-A119 WeakPolarHBondContact CD1-O 3.4Å; E73-A119 HydrophobicContact CB-CB 4.11Å; E73-A119 HydrophobicContact CG-CB 4.37Å; K74-A119 HydrophobicContact CB-CB 4.31Å; K74-A119 HydrophobicContact CG-CB 3.4Å; K74-A119 VanDerWaalsContact CG-CB 3.4Å; V77-A119 HydrophobicContact CG2-CB 4.29Å; I115-A119 WeakPolarHBondContact O-CB 3.24Å; A116-A119 PolarHBondContact O-N 2.86Å; T117-A119 VanDerWaalsContact C-N 3.28Å; T117-A119 PolarHBondContact O-N 2.93Å; A119-G121 VanDerWaalsContact C-N 3.33Å
120S96.6Very high94.8Very high76 Ų7653.9 Ų53.953%0.53130%0.3SS..THydrogen-bonded Turntrans-82.8-8164.631.10000113.4A116 T117 E118A116-S120 PolarHBondContact O-N 2.91Å; A116-S120 PolarHBondContact O-OG 2.99Å; T117-S120 PolarHBondContact O-N 2.77Å; T117-S120 VanDerWaalsContact O-N 3.09Å; T117-S120 PolarHBondContact O-OG 2.76Å; E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 PolarHBondContact O-N 3Å
121G95.1Very high94.1Very high67 Ų6757.7 Ų57.769%0.69132%0.323SS*.THydrogen-bonded Turntrans85.87.6-17400000114.3T117 E118 A119T117-G121 PolarHBondContact O-N 2.9Å; E118-G121 PolarHBondContact O-N 3.48Å; A119-G121 VanDerWaalsContact C-N 3.33Å
122E95.3Very high93.3Very high131 Ų13163.7 Ų63.761%0.61235%0.346SS*.PPolyproline II helixtrans-88.5152.4177.6-65.4-62.6160.700111T117T117-E122 HydrophobicContact CG2-CB 3.67Å; T117-E122 PolarHBondContact O-N 2.72Å
123V94.3Very high92.3Very high139 Ų13963 Ų6384%0.84235%0.346SS*.PPolyproline II helixtrans-78.8125.2175.6-178.30000109.5
124W95.6Very high91.1Very high36 Ų3665.8 Ų65.814%0.13636%0.361CS..PPolyproline II helixtrans-83.8133.8175.7-173.971.4000112F86 L110 D113 K114 T117 E118 E126 A129F86-W124 AromaticContact CE2-CH2 3.79Å; F86-W124 HydrophobicContact CE2-CH2 3.79Å; F86-W124 AromaticContact CE2-CZ3 3.99Å; F86-W124 HydrophobicContact CE2-CZ3 3.99Å; F86-W124 AromaticContact CZ-CH2 3.85Å; F86-W124 HydrophobicContact CZ-CH2 3.85Å; L110-W124 HydrophobicContact CB-CZ2 4.29Å; L110-W124 HydrophobicContact CD2-CZ2 4.28Å; D113-W124 PolarHBondContact OD2-NE1 3.22Å; K114-W124 HydrophobicContact CB-CD2 3.67Å; K114-W124 HydrophobicContact CB-CE3 4.15Å; K114-W124 HydrophobicContact CB-CG 3.96Å; K114-W124 HydrophobicContact CB-CH2 4.49Å; K114-W124 HydrophobicContact CB-CZ2 4.07Å; K114-W124 HydrophobicContact CD-CD2 4.11Å; K114-W124 HydrophobicContact CD-CE3 3.69Å; K114-W124 HydrophobicContact CD-CH2 4.48Å; K114-W124 HydrophobicContact CD-CZ3 3.91Å; K114-W124 HydrophobicContact CG-CB 4.3Å; K114-W124 HydrophobicContact CG-CD2 3.69Å; K114-W124 HydrophobicContact CG-CE3 3.82Å; K114-W124 HydrophobicContact CG-CG 3.93Å; K114-W124 HydrophobicContact CG-CZ3 4.4Å; T117-W124 HydrophobicContact CG2-CB 4.08Å; E118-W124 HydrophobicContact CG-CB 4.13Å; W124-E126 HydrophobicContact CH2-CB 3.56Å; W124-E126 HydrophobicContact CH2-CG 3.73Å; W124-E126 HydrophobicContact CZ2-CB 4.24Å; W124-E126 HydrophobicContact CZ2-CG 4.42Å; W124-E126 HydrophobicContact CZ3-CB 3.7Å; W124-E126 HydrophobicContact CZ3-CG 4.29Å; W124-A129 HydrophobicContact CZ2-CB 3.66Å
125D93.9Very high89.2Confident82 Ų8269.8 Ų69.844%0.43938%0.378SS..  trans-122.3120.9176.6179.5-19.3000109.1E127 V128 A129D125-E127 PolarHBondContact OD1-N 2.9Å; D125-V128 HydrophobicContact CB-CB 4.17Å; D125-V128 HydrophobicContact CB-CG2 4.07Å; D125-V128 PolarHBondContact O-N 3.16Å; D125-V128 WeakPolarHBondContact OD2-CG2 3.3Å; D125-A129 WeakPolarHBondContact O-CB 3.37Å; D125-A129 PolarHBondContact O-N 3.23Å
126E90.9Very high87Confident76 Ų7673.9 Ų73.936%0.35541%0.407SS..Hα-helixtrans-67.1-34.4-177.4-176.6158-173.100113Q90 W124 A129 N130Q90-E126 PolarHBondContact NE2-OE1 3.3Å; W124-E126 HydrophobicContact CH2-CB 3.56Å; W124-E126 HydrophobicContact CH2-CG 3.73Å; W124-E126 HydrophobicContact CZ2-CB 4.24Å; W124-E126 HydrophobicContact CZ2-CG 4.42Å; W124-E126 HydrophobicContact CZ3-CB 3.7Å; W124-E126 HydrophobicContact CZ3-CG 4.29Å; E126-A129 PolarHBondContact O-N 2.84Å; E126-N130 VanDerWaalsContact CG-ND2 3.29Å; E126-N130 WeakPolarHBondContact CG-ND2 3.46Å; E126-N130 VanDerWaalsContact O-CB 3.3Å; E126-N130 WeakPolarHBondContact O-CB 3.46Å; E126-N130 PolarHBondContact O-N 3.39Å; E126-N130 PolarHBondContact O-ND2 3.22Å
127E89.5Confident84.7Confident157 Ų15778.1 Ų78.173%0.73443%0.43SS*.Hα-helixtrans-67.4-43.8178.7-64.2-165.117700110.6D125 N130 V131D125-E127 PolarHBondContact OD1-N 2.9Å; E127-N130 WeakPolarHBondContact O-CB 3.42Å; E127-N130 PolarHBondContact O-N 3.45Å; E127-V131 WeakPolarHBondContact O-CG2 3.47Å; E127-V131 PolarHBondContact O-N 2.97Å
128V88.9Confident82.1Confident61 Ų6180.8 Ų80.837%0.3745%0.449SS..Hα-helixtrans-64.4-43.7176.4178.10000111D125 N130 V131 R132D125-V128 HydrophobicContact CB-CB 4.17Å; D125-V128 HydrophobicContact CB-CG2 4.07Å; D125-V128 PolarHBondContact O-N 3.16Å; D125-V128 WeakPolarHBondContact OD2-CG2 3.3Å; V128-N130 VanDerWaalsContact C-N 3.34Å; V128-N130 PolarHBondContact O-N 3.38Å; V128-V131 PolarHBondContact O-N 3.45Å; V128-R132 WeakPolarHBondContact O-CG 3.37Å; V128-R132 PolarHBondContact O-N 3.47Å
129A88.8Confident79.6Confident1 Ų185 Ų851%0.00847%0.473CS..Hα-helixtrans-61.6-41176.400000112.3L110 D113 W124 D125 E126 R132 N133L110-A129 HydrophobicContact CD2-CB 3.65Å; D113-A129 WeakPolarHBondContact OD2-CB 3.33Å; W124-A129 HydrophobicContact CZ2-CB 3.66Å; D125-A129 WeakPolarHBondContact O-CB 3.37Å; D125-A129 PolarHBondContact O-N 3.23Å; E126-A129 PolarHBondContact O-N 2.84Å; A129-R132 PolarHBondContact O-N 2.68Å; A129-N133 WeakPolarHBondContact O-CB 3.34Å; A129-N133 PolarHBondContact O-N 3.2Å; A129-N133 PolarHBondContact O-ND2 3.44Å
130N88.5Confident77.1Confident30 Ų3091.4 Ų91.416%0.1651%0.505CS..Hα-helixtrans-60.9-46174-89.1-75.4000112.1K106 E126 E127 V128 R132 N134K106-N130 WeakPolarHBondContact CE-OD1 3.36Å; K106-N130 PolarHBondContact NZ-OD1 3.44Å; E126-N130 VanDerWaalsContact CG-ND2 3.29Å; E126-N130 WeakPolarHBondContact CG-ND2 3.46Å; E126-N130 VanDerWaalsContact O-CB 3.3Å; E126-N130 WeakPolarHBondContact O-CB 3.46Å; E126-N130 PolarHBondContact O-N 3.39Å; E126-N130 PolarHBondContact O-ND2 3.22Å; E127-N130 WeakPolarHBondContact O-CB 3.42Å; E127-N130 PolarHBondContact O-N 3.45Å; V128-N130 VanDerWaalsContact C-N 3.34Å; V128-N130 PolarHBondContact O-N 3.38Å; N130-R132 VanDerWaalsContact C-N 3.34Å; N130-R132 PolarHBondContact O-N 3.37Å; N130-N134 WeakPolarHBondContact O-CB 3.19Å; N130-N134 PolarHBondContact O-N 3.5Å; N130-N134 PolarHBondContact O-ND2 3.05Å
131V82.6Confident74.4Confident80 Ų8095.3 Ų95.349%0.48552%0.515SS..Hα-helixtrans-64.8-36.5177.8172.60000112.1E127 V128 K135E127-V131 WeakPolarHBondContact O-CG2 3.47Å; E127-V131 PolarHBondContact O-N 2.97Å; V128-V131 PolarHBondContact O-N 3.45Å; V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.36Å; V131-K135 PolarHBondContact O-N 3.38Å
132R81.4Confident72.1Confident132 Ų13297.5 Ų97.550%0.49852%0.515SS..Hα-helixtrans-65-56.7174.7-71172.1-175.9168.73.3111.4D113 V128 A129 N130 N134 K135 S136D113-R132 IonicContact OD1-NH1 3.71Å; V128-R132 WeakPolarHBondContact O-CG 3.37Å; V128-R132 PolarHBondContact O-N 3.47Å; A129-R132 PolarHBondContact O-N 2.68Å; N130-R132 VanDerWaalsContact C-N 3.34Å; N130-R132 PolarHBondContact O-N 3.37Å; R132-N134 VanDerWaalsContact C-N 3.31Å; R132-N134 PolarHBondContact O-N 3.45Å; R132-K135 PolarHBondContact O-N 2.7Å; R132-K135 VanDerWaalsContact O-N 3.08Å; R132-S136 PolarHBondContact O-N 3.01Å
133N76.5Confident69.8Low39 Ų3999.4 Ų99.421%0.20952%0.521CS..Hα-helixtrans-61.5-37.3-176-77.2-32.1000112.5L110 A129 K135 S136 T137L110-N133 WeakPolarHBondContact CD2-ND2 3.49Å; A129-N133 WeakPolarHBondContact O-CB 3.34Å; A129-N133 PolarHBondContact O-N 3.2Å; A129-N133 PolarHBondContact O-ND2 3.44Å; N133-K135 VanDerWaalsContact C-N 3.35Å; N133-K135 PolarHBondContact O-N 3.09Å; N133-S136 PolarHBondContact O-N 3.13Å; N133-T137 PolarHBondContact O-OG1 3.17Å
134N70.7Confident67.4Low91 Ų9198.8 Ų98.849%0.48752%0.517SS..Hα-helixtrans-66.3-33.1176.1-68.7-12.6000113N130 R132 T137N130-N134 WeakPolarHBondContact O-CB 3.19Å; N130-N134 PolarHBondContact O-N 3.5Å; N130-N134 PolarHBondContact O-ND2 3.05Å; R132-N134 VanDerWaalsContact C-N 3.31Å; R132-N134 PolarHBondContact O-N 3.45Å; N134-T137 PolarHBondContact O-N 3.3Å
135K57.6Low65.3Low139 Ų139102 Ų10260%0.60454%0.541SS*.Hα-helixtrans-71.8-29.3178.9-78.2175.3178.6179.20113V131 R132 N133 T137 S138V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.36Å; V131-K135 PolarHBondContact O-N 3.38Å; R132-K135 PolarHBondContact O-N 2.7Å; R132-K135 VanDerWaalsContact O-N 3.08Å; N133-K135 VanDerWaalsContact C-N 3.35Å; N133-K135 PolarHBondContact O-N 3.09Å; K135-T137 PolarHBondContact O-N 3.03Å; K135-S138 PolarHBondContact O-N 3.26Å; K135-S138 VanDerWaalsContact O-N 3.07Å; K135-S138 PolarHBondContact O-OG 3.47Å
136S52.8Low62.9Low91 Ų91101.9 Ų101.964%0.63656%0.56SS**Hα-helixtrans-64-26.2173.8-62.70000112.8R132 N133 S138R132-S136 PolarHBondContact O-N 3.01Å; N133-S136 PolarHBondContact O-N 3.13Å; S136-S138 VanDerWaalsContact C-N 3.31Å
137T49.1Very low60.6Low123 Ų123104.6 Ų104.676%0.75558%0.577SS**THydrogen-bonded Turntrans-82-6.8174.6-27.50000113.2N133 N134 K135N133-T137 PolarHBondContact O-OG1 3.17Å; N134-T137 PolarHBondContact O-N 3.3Å; K135-T137 PolarHBondContact O-N 3.03Å
138S40.7Very low58.5Low76 Ų76105 Ų10553%0.53158%0.583SS.*THydrogen-bonded Turntrans-108.637-179.971.60000113.3K135 S136 N140K135-S138 PolarHBondContact O-N 3.26Å; K135-S138 VanDerWaalsContact O-N 3.07Å; K135-S138 PolarHBondContact O-OG 3.47Å; S136-S138 VanDerWaalsContact C-N 3.31Å; S138-N140 PolarHBondContact O-N 2.81Å
139I46.7Very low56.5Low151 Ų151107.4 Ų107.477%0.77460%0.6SS**SBendtrans-62.1122156.3-64.7-179.2000106.4H141I139-H141 PolarHBondContact O-N 3.21Å
140N44.1Very low54.1Low141 Ų141113 Ų11375%0.75464%0.639SS**  trans-55.4125.3-169.5-64.7-73.4000111.2S138 V142S138-N140 PolarHBondContact O-N 2.81Å; N140-V142 VanDerWaalsContact C-N 3.25Å; N140-V142 PolarHBondContact O-N 2.93Å
141H40.8Very low51.9Low159 Ų159119.2 Ų119.274%0.73667%0.671SS**  trans-58.596.6157.5176.9-48.2000107I139 K143I139-H141 PolarHBondContact O-N 3.21Å; H141-K143 PolarHBondContact O-N 3.43Å
142V45.5Very low49.8Very low112 Ų112119.9 Ų119.968%0.67968%0.68SS**  trans-55.7111.1170.2174.70000106N140 T144N140-V142 VanDerWaalsContact C-N 3.25Å; N140-V142 PolarHBondContact O-N 2.93Å; V142-T144 VanDerWaalsContact C-N 3.28Å; V142-T144 PolarHBondContact O-N 3.3Å
143K47.1Very low48.3Very low171 Ų171118.9 Ų118.974%0.74369%0.693SS**  trans-69.295.7171.2-74.9-176.7176.8179.70106.5H141 T145H141-K143 PolarHBondContact O-N 3.43Å; K143-T145 HydrophobicContact CB-CG2 4.49Å; K143-T145 PolarHBondContact O-N 3.25Å
144T44.4Very low46.7Very low126 Ų126123.5 Ų123.577%0.77372%0.717SS**  trans-62.580.5156.726.10000107.8V142 G146V142-T144 VanDerWaalsContact C-N 3.28Å; V142-T144 PolarHBondContact O-N 3.3Å; T144-G146 PolarHBondContact O-N 3.39Å
145T51.3Low45.3Very low104 Ų104128.5 Ų128.564%0.63874%0.735SS**  trans-57.2124.616547.10000107.3K143 D147K143-T145 HydrophobicContact CB-CG2 4.49Å; K143-T145 PolarHBondContact O-N 3.25Å; T145-D147 PolarHBondContact O-N 3.01Å
146G43Very low44.7Very low80 Ų80133.1 Ų133.183%0.82575%0.748SS**SBendtrans-76.859-163.500000114.2T144T144-G146 PolarHBondContact O-N 3.39Å
147D43.1Very low43.9Very low133 Ų133135.4 Ų135.471%0.71175%0.754SS**  trans-109.251.7-176.6-62.3-69.4000111.5T145T145-D147 PolarHBondContact O-N 3.01Å
148L45.1Very low43.4Very low164 Ų164139.5 Ų139.586%0.85976%0.761SS**  trans-101119.4167.3-77.2175.1000109.6S150L148-S150 PolarHBondContact O-N 3.44Å
149P46.1Very low43.2Very low112 Ų112144 Ų14473%0.72777%0.773SS**  trans-60.8126.5178-23.733.8000111.6L151P149-L151 PolarHBondContact O-N 2.77Å
150S38.4Very low42.8Very low119 Ų119140.3 Ų140.383%0.83277%0.773SS**  trans-67.6103.1173.357.80000109.9L148 S152L148-S150 PolarHBondContact O-N 3.44Å; S150-S152 PolarHBondContact O-N 3.46Å
151L44.1Very low42.6Very low161 Ų161140.6 Ų140.684%0.84377%0.774SS**  trans-60.8122171.5-105.269.6000109.5P149P149-L151 PolarHBondContact O-N 2.77Å
152S37.5Very low42.7Very low94 Ų94140.8 Ų140.866%0.65778%0.776SS**  trans-61.5147.1173.2-1680000110.5S150S150-S152 PolarHBondContact O-N 3.46Å
153S49.2Very low42.5Very low110 Ų110142 Ų14277%0.76978%0.783SS**  trans-149.3109.8167-74.60000107.8
154D43.2Very low42.1Very low136 Ų136139.6 Ų139.673%0.72778%0.778SS**  trans-72.4132.2-156.5-59.7-78.2000114.6R156D154-R156 PolarHBondContact O-N 3.4Å; D154-R156 VanDerWaalsContact O-N 3.11Å
155K41Very low42.1Very low196 Ų196145.1 Ų145.185%0.85279%0.787SS**  trans-70.1102.7164.2-71.9-174.9177.9-1790109.7
156R46.1Very low41.5Very low237 Ų237148.5 Ų148.589%0.89480%0.795SS**  trans-100.4108.6160-71.6-164.3-69.7164.2-3110D154D154-R156 PolarHBondContact O-N 3.4Å; D154-R156 VanDerWaalsContact O-N 3.11Å
157N35.9Very low41.8Very low139 Ų139149.4 Ų149.474%0.74380%0.796SS**  trans-68.3145.3173.9-58.6-45.8000110.4
158F38.1Very low41.8Very low209 Ų209148.4 Ų148.492%0.91780%0.796SS**  trans-133.4154.8152.8-152.8-99.1000109.5
159H35.9Very low41.4Very low169 Ų169148 Ų14878%0.78280%0.795SS**  trans-119.6154.2-164.8-11258.9000112.2
160G39.3Very low41.2Very low74 Ų74151.8 Ų151.876%0.76380%0.796SS**  trans97.6141.3170.300000114.3
161N40.6Very low41.6Very low148 Ų148154.6 Ų154.679%0.79179%0.79SS**  cis-152.3175.5-9.5-161.110.9000110.9
162Q42.2Very low41.5Very low163 Ų163153 Ų15376%0.76279%0.789SS**  trans-44.7152.3172.4-63.6164.62.400112.8
163T42Very low41.5Very low136 Ų136152.1 Ų152.183%0.83480%0.795SS**  -150.2171.259.644.30000116.2
164N37.3Very low41.3Very low121 Ų121152.4 Ų152.465%0.64780%0.797SS**  trans-62.6152.5-177.2-63.7-25.6000115.1
165Y45.3Very low41.1Very low242 Ų242153.6 Ų153.695%0.94980%0.803SS**  -149.7154.9105.7-86.2-65.9000109.9
166Q38.8Very low40.9Very low175 Ų175153.6 Ų153.682%0.81880%0.803SS**  trans-119.3134.8-165.9-63164-87.400113
167A48.4Very low40.5Very low100 Ų100151.4 Ų151.483%0.82681%0.805SS**  trans-157.9148.115300000109.1
168P43Very low40.7Very low112 Ų112150.6 Ų150.673%0.72781%0.805SS**  trans-107.2154.9-155.539.1-34.8000117.2
169D37.5Very low40.7Very low156 Ų156145.4 Ų145.483%0.83480%0.795SS**  trans31128.7141-49-35.1000121.4
170Y41.9Very low41Very low191 Ų191142.7 Ų142.775%0.74979%0.794SS**  -177.6154.297.5-162.5-155.4000113.5
171Y47.3Very low41.1Very low178 Ų178145.2 Ų145.270%0.69879%0.786SS**  trans56.1124.9171.9-85.8-55.8000122.5
172P41.5Very low41.7Very low126 Ų126141.5 Ų141.582%0.81877%0.772SS**  trans-109.1144164.837.7-29.4000114.4
173G37.5Very low42Very low76 Ų76139.1 Ų139.178%0.78476%0.764SS**  trans159.6148.9167.900000113.1
174S44.8Very low42.2Very low116 Ų116138 Ų13881%0.81175%0.752SS**  cis-156.2143.5-10.961.80000111.9
175N39.7Very low43Very low162 Ų162136.6 Ų136.687%0.86674%0.742SS**  trans22.7120.7162.6-62-7.6000121.6
176K36.6Very low43.2Very low195 Ų195128.2 Ų128.285%0.84872%0.718SS**  trans-81.8111.6170.7-179.8-177-175.1179.70110.8
177M37.4Very low43.7Very low191 Ų191127.6 Ų127.694%0.94171%0.709SS**  trans-71.7141.8172.9-73.2-178.870.200111.7
178T39Very low44.1Very low122 Ų122126.8 Ų126.875%0.74869%0.69SS**  trans-120.4129.6-17649.70000112.1
179S39.6Very low45Very low100 Ų100127.3 Ų127.370%0.69968%0.681SS**  trans43.4111.1155.1-170.10000119.2H181S179-H181 PolarHBondContact OG-N 3.09Å
180C40.3Very low45.6Very low113 Ų113124.2 Ų124.276%0.76466%0.664SS**  trans-104.422159.650.10000112.6
181H43.5Very low45.9Very low126 Ų126117.9 Ų117.958%0.58365%0.646SS**Hα-helixtrans-76.4-25-169.7-160.5-80.9000114.4S179 D183 E185S179-H181 PolarHBondContact OG-N 3.09Å; H181-D183 VanDerWaalsContact C-N 3.34Å; H181-D183 PolarHBondContact O-N 2.97Å; H181-E185 IonicContact CE1-OE2 3.39Å; H181-E185 PolarHBondContact CE1-OE2 3.11Å; H181-E185 IonicContact ND1-OE2 3.1Å; H181-E185 PolarHBondContact ND1-OE2 2.66Å; H181-E185 VanDerWaalsContact ND1-OE2 3.1Å
182S53Low46Very low71 Ų71115.1 Ų115.150%0.49764%0.642SS.*Hα-helixtrans-61.5-39.6-175.338.60000113.6E185 S186S182-E185 PolarHBondContact O-N 3.21Å; S182-S186 PolarHBondContact O-N 3.13Å
183D48Very low46.1Very low113 Ų113115.6 Ų115.660%0.60464%0.637SS**Hα-helixtrans-80.7-29.6-160.2-53.30.3000110.8H181 S186 W187H181-D183 VanDerWaalsContact C-N 3.34Å; H181-D183 PolarHBondContact O-N 2.97Å; D183-S186 PolarHBondContact O-N 3.2Å; D183-W187 PolarHBondContact O-N 3.32Å
184L46.1Very low46.2Very low112 Ų112116.2 Ų116.259%0.58663%0.629SS**Hα-helixtrans-67.2-38.9173-166.575.3000111.8W187 L188L184-W187 PolarHBondContact O-N 3.13Å; L184-L188 HydrophobicContact CG-CD1 4.17Å; L184-L188 WeakPolarHBondContact O-CB 3.33Å; L184-L188 WeakPolarHBondContact O-CG 3.48Å; L184-L188 PolarHBondContact O-N 3.36Å
185E53.4Low46.1Very low92 Ų92119 Ų11943%0.4363%0.629SS.*Hα-helixtrans-72.4-25.6177.9-76.9-172.175.300113.3H181 S182 K189H181-E185 IonicContact CE1-OE2 3.39Å; H181-E185 PolarHBondContact CE1-OE2 3.11Å; H181-E185 IonicContact ND1-OE2 3.1Å; H181-E185 PolarHBondContact ND1-OE2 2.66Å; H181-E185 VanDerWaalsContact ND1-OE2 3.1Å; S182-E185 PolarHBondContact O-N 3.21Å; E185-K189 WeakPolarHBondContact O-CD 3.35Å; E185-K189 WeakPolarHBondContact O-CG 3.41Å; E185-K189 PolarHBondContact O-N 3.37Å
186S49.4Very low45.9Very low65 Ų65120 Ų12046%0.45563%0.628SS.*Hα-helixtrans-68.1-56.1168.8-163.70000110S182 D183 L188 K189 D190S182-S186 PolarHBondContact O-N 3.13Å; D183-S186 PolarHBondContact O-N 3.2Å; S186-L188 VanDerWaalsContact C-N 3.29Å; S186-L188 PolarHBondContact O-N 3.46Å; S186-K189 WeakPolarHBondContact O-CA 3.47Å; S186-K189 WeakPolarHBondContact O-CB 3.5Å; S186-K189 PolarHBondContact O-N 2.64Å; S186-D190 VanDerWaalsContact O-CG 3.32Å; S186-D190 PolarHBondContact O-N 3.24Å; S186-D190 VanDerWaalsContact O-OD2 3.07Å; S186-D190 PolarHBondContact OG-OD2 3.19Å
187W50.4Low45.7Very low163 Ų163119 Ų11962%0.61763%0.627SS**Hα-helixtrans-61.9-35.2-175-175.167.9000113.4D183 L184 D190 T191D183-W187 PolarHBondContact O-N 3.32Å; L184-W187 PolarHBondContact O-N 3.13Å; W187-D190 PolarHBondContact O-N 3.44Å; W187-T191 WeakPolarHBondContact O-CB 3.28Å; W187-T191 PolarHBondContact O-N 3.14Å; W187-T191 PolarHBondContact O-OG1 3.33Å
188L56.9Low45.6Very low83 Ų83117.8 Ų117.844%0.43562%0.624SS.*Hα-helixtrans-65.5-37.4172.3-76.8168.6000112.7L184 S186 I192L184-L188 HydrophobicContact CG-CD1 4.17Å; L184-L188 WeakPolarHBondContact O-CB 3.33Å; L184-L188 WeakPolarHBondContact O-CG 3.48Å; L184-L188 PolarHBondContact O-N 3.36Å; S186-L188 VanDerWaalsContact C-N 3.29Å; S186-L188 PolarHBondContact O-N 3.46Å; L188-I192 WeakPolarHBondContact O-CB 3.22Å; L188-I192 WeakPolarHBondContact O-CD1 3.39Å; L188-I192 WeakPolarHBondContact O-CG1 3.21Å; L188-I192 PolarHBondContact O-N 2.96Å; L188-I192 VanDerWaalsContact O-N 3.14Å
189K61.1Low45.3Very low123 Ų123116.9 Ų116.954%0.53562%0.623SS.*Hα-helixtrans-67.9-47.1173.1-76.5167.6-175.4150.40111.2E185 S186 T191 I192 L193E185-K189 WeakPolarHBondContact O-CD 3.35Å; E185-K189 WeakPolarHBondContact O-CG 3.41Å; E185-K189 PolarHBondContact O-N 3.37Å; S186-K189 WeakPolarHBondContact O-CA 3.47Å; S186-K189 WeakPolarHBondContact O-CB 3.5Å; S186-K189 PolarHBondContact O-N 2.64Å; K189-T191 VanDerWaalsContact C-N 3.28Å; K189-T191 PolarHBondContact O-N 2.74Å; K189-I192 PolarHBondContact O-N 3.47Å; K189-L193 HydrophobicContact CB-CD1 4.4Å; K189-L193 VanDerWaalsContact O-CB 3.28Å; K189-L193 WeakPolarHBondContact O-CB 3.45Å; K189-L193 VanDerWaalsContact O-CG 3.22Å; K189-L193 WeakPolarHBondContact O-CG 3.42Å; K189-L193 PolarHBondContact O-N 2.71Å
190D49.3Very low44.9Very low90 Ų90120.9 Ų120.948%0.48163%0.628SS.*Hα-helixtrans-62.2-36.3-178.6-61-41.2000111.9S186 W187 S194S186-D190 VanDerWaalsContact O-CG 3.32Å; S186-D190 PolarHBondContact O-N 3.24Å; S186-D190 VanDerWaalsContact O-OD2 3.07Å; S186-D190 PolarHBondContact OG-OD2 3.19Å; W187-D190 PolarHBondContact O-N 3.44Å; D190-S194 WeakPolarHBondContact O-CB 3.37Å; D190-S194 PolarHBondContact O-N 2.88Å; D190-S194 PolarHBondContact O-OG 2.85Å
191T48.9Very low44.7Very low59 Ų59119.6 Ų119.636%0.36262%0.617SS.*Hα-helixtrans-72.4-38175.8-510000112.4W187 K189 S194W187-T191 WeakPolarHBondContact O-CB 3.28Å; W187-T191 PolarHBondContact O-N 3.14Å; W187-T191 PolarHBondContact O-OG1 3.33Å; K189-T191 VanDerWaalsContact C-N 3.28Å; K189-T191 PolarHBondContact O-N 2.74Å; T191-S194 PolarHBondContact O-OG 3.2Å
192I50.5Low44.5Very low120 Ų120119.6 Ų119.662%0.61563%0.626SS**Hα-helixtrans-76.6-28.3178.9-68.5168.5000111.7L188 K189 S194L188-I192 WeakPolarHBondContact O-CB 3.22Å; L188-I192 WeakPolarHBondContact O-CD1 3.39Å; L188-I192 WeakPolarHBondContact O-CG1 3.21Å; L188-I192 PolarHBondContact O-N 2.96Å; L188-I192 VanDerWaalsContact O-N 3.14Å; K189-I192 PolarHBondContact O-N 3.47Å; I192-S194 VanDerWaalsContact C-N 3.33Å
193L43.2Very low43.7Very low136 Ų136121.5 Ų121.571%0.71264%0.637SS**THydrogen-bonded Turntrans-84.6-0.8178.5-68.4170.8000114.2K189K189-L193 HydrophobicContact CB-CD1 4.4Å; K189-L193 VanDerWaalsContact O-CB 3.28Å; K189-L193 WeakPolarHBondContact O-CB 3.45Å; K189-L193 VanDerWaalsContact O-CG 3.22Å; K189-L193 WeakPolarHBondContact O-CG 3.42Å; K189-L193 PolarHBondContact O-N 2.71Å
194S39.2Very low42.8Very low89 Ų89120.9 Ų120.962%0.62265%0.647SS**THydrogen-bonded Turntrans-108.32.8-179.245.20000115.1D190 T191 I192D190-S194 WeakPolarHBondContact O-CB 3.37Å; D190-S194 PolarHBondContact O-N 2.88Å; D190-S194 PolarHBondContact O-OG 2.85Å; T191-S194 PolarHBondContact O-OG 3.2Å; I192-S194 VanDerWaalsContact C-N 3.33Å
195E42.8Very low42.3Very low175 Ų175122.5 Ų122.582%0.81866%0.662SS**SBendtrans-96-11.5173-66.6-167.213100114.3H197E195-H197 PolarHBondContact O-N 3.34Å
196E35.4Very low41.5Very low181 Ų181127.2 Ų127.285%0.84668%0.681SS**  trans-93.565.4176.7-72.2-158134.500113.2
197H33.2Very low40.7Very low176 Ų176128.5 Ų128.582%0.81569%0.686SS**  trans-150.557.5170.5-145.3-74.2000116.6E195E195-H197 PolarHBondContact O-N 3.34Å
198D34.6Very low39.8Very low164 Ų164123 Ų12388%0.87767%0.671SS**  trans-146.1152149.9-127.7-29.3000114.3
199S32.2Very low38.5Very low104 Ų104123.6 Ų123.673%0.72768%0.678SS**  trans-88.6147.1-159.365.80000116.3
200F32.8Very low37.2Very low183 Ų183122 Ų12280%0.80368%0.679SS**  -176.5107.1116.4-157.9-111.2000115.8
201T35.5Very low36.3Very low87 Ų87121.6 Ų121.653%0.53468%0.682SS.*  trans52.984.8132.7-41.40000123.3
202T38.9Very low35.7Very low126 Ų126123.2 Ų123.277%0.77370%0.702SS**  trans61.3164.8132.3660000123
203P35.5Very low34.7Very low111 Ų111125.3 Ų125.372%0.72172%0.715SS**  cis-131.1131.4-21.226.4-4.7000116
204A30Very low34.3Very low99 Ų99124.5 Ų124.582%0.81872%0.715SS**  trans32.7113.8139.800000123
205T35.3Very low33.9Very low147 Ų147130 Ų13090%0.90272%0.723SS**  trans-132.9117.8143.2-80000113.4
206K36.4Very low33.7Very low190 Ų190131.8 Ų131.883%0.82672%0.723SS**  trans-43.7159.6168.7-67.3169.3-176.1173.40114.6
207T32.6Very low33.6Very low93 Ų93130.6 Ų130.657%0.57172%0.723SS**  cis175.7141.1-4.8-91.40000109.2T272T207-T272 HydrophobicContact CG2-CG2 3.77Å
208T31.7Very low34.1Very low48 Ų48131.6 Ų131.629%0.29473%0.725SS.*  trans63.787.3154.9-104.30000116.2K270 T272T208-K270 HydrophobicContact CG2-CD 3.81Å; T208-K270 VanDerWaalsContact CG2-CE 3.43Å; T208-K270 HydrophobicContact CG2-CG 3.8Å; T208-K270 WeakPolarHBondContact O-CE 3.41Å; T208-K270 PolarHBondContact O-NZ 3.29Å; T208-K270 VanDerWaalsContact OG1-CG 3.25Å; T208-K270 WeakPolarHBondContact OG1-CG 3.17Å; T208-T272 PolarHBondContact OG1-OG1 2.95Å
209T29.3Very low34.7Very low95 Ų95130.2 Ų130.258%0.58372%0.722SS**  cis64.199.537.263.50000116.5A269 K270T209-A269 CarbonylContact O-C 3.59Å; T209-A269 WeakPolarHBondContact O-CB 2.96Å; T209-A269 VanDerWaalsContact OG1-CB 3.3Å; T209-A269 WeakPolarHBondContact OG1-CB 3.3Å; T209-K270 VanDerWaalsContact O-CA 3.26Å; T209-K270 WeakPolarHBondContact O-CA 3.3Å; T209-K270 WeakPolarHBondContact O-CB 3.04Å; T209-K270 WeakPolarHBondContact O-CD 3.18Å; T209-K270 WeakPolarHBondContact O-CE 3.01Å; T209-K270 WeakPolarHBondContact O-CG 3.26Å; T209-K270 PolarHBondContact O-N 2.95Å
210T34.5Very low35.3Very low90 Ų90130.2 Ų130.255%0.55272%0.719SS**  trans-115.3140.4-155-44.20000117.3A269 K270T210-A269 CarbonylContact C-O 3.5Å; T210-K270 HydrophobicContact CG2-CD 4.29Å; T210-K270 WeakPolarHBondContact OG1-CE 3.14Å; T210-K270 PolarHBondContact OG1-NZ 2.89Å
211S30Very low35.6Very low80 Ų80129.5 Ų129.556%0.55972%0.724SS**  trans-105.3117.2166.7520000113.6A269S211-A269 WeakPolarHBondContact CB-O 3.42Å; S211-A269 PolarHBondContact N-O 3.28Å
212A35.5Very low36.4Very low94 Ų94136.5 Ų136.578%0.77774%0.741SS**  trans-156.9131164.300000110.9
213N29.9Very low36.4Very low164 Ų164134.8 Ų134.888%0.87774%0.74SS**  trans-73.5128.3177-70-28.5000111.4
214T35.3Very low36.6Very low119 Ų119134.9 Ų134.973%0.7373%0.734SS**  trans-178.5136.4134.216.20000112.4
215R31.2Very low37.2Very low205 Ų205135.4 Ų135.477%0.77473%0.732SS**  trans54.7117.8158.1-55.1170.5-169.6156.73.9117.5
216Y37.5Very low37.6Very low211 Ų211135.5 Ų135.583%0.82772%0.719SS**  -177.1113.594.9-105.6-73.6000111.1
217D33.9Very low37.9Very low157 Ų157136.1 Ų136.184%0.8472%0.723SS**  trans-74.6128.6170.3-57.7-83.3000110.9
218K44.4Very low38.3Very low196 Ų196140.5 Ų140.585%0.85274%0.739SS**  trans-162.390.7163.1-111.9171.9-168-57.40110.7
219V46.9Very low39.2Very low135 Ų135144.6 Ų144.682%0.81876%0.759SS**  trans-89.9135.2164.4-175.70000107.7
220P44.9Very low40Very low104 Ų104148.1 Ų148.168%0.67577%0.774SS**  trans-71.5137.7-176.9-20.733.8000114.3W222P220-W222 PolarHBondContact O-N 3.35Å
221D37.9Very low40.6Very low169 Ų169150.7 Ų150.790%0.90478%0.784SS**SBendtrans-67.9113176.3-61.1-66000112.5
222W53.3Low41Very low233 Ų233150.5 Ų150.588%0.88380%0.796SS**  trans-147.64.7159.368.3-84000114.3P220P220-W222 PolarHBondContact O-N 3.35Å
223A39.5Very low41.6Very low91 Ų91155.4 Ų155.475%0.75280%0.799SS**  trans-120.550.3-167.700000113.8
224D37.8Very low42Very low113 Ų113159.1 Ų159.160%0.60480%0.803SS**  trans-144.561.2169.6-160.313.2000111.6K226D224-K226 VanDerWaalsContact C-N 3.28Å; D224-K226 VanDerWaalsContact CG-NZ 3.27Å; D224-K226 PolarHBondContact O-N 2.93Å; D224-K226 VanDerWaalsContact OD1-CE 3.24Å; D224-K226 WeakPolarHBondContact OD1-CE 3.25Å; D224-K226 IonicContact OD1-NZ 3.04Å; D224-K226 PolarHBondContact OD1-NZ 3.38Å; D224-K226 IonicContact OD2-NZ 2.67Å; D224-K226 PolarHBondContact OD2-NZ 3.03Å
225S43.2Very low42.4Very low109 Ų109158.4 Ų158.476%0.76281%0.809SS**  trans-77.572.717862.20000111.8F227S225-F227 PolarHBondContact O-N 3.24Å
226K43.4Very low42.5Very low149 Ų149156 Ų15665%0.64881%0.811SS**  trans-73.6117.3173.4-75.7173.7179.61250110.9D224D224-K226 VanDerWaalsContact C-N 3.28Å; D224-K226 VanDerWaalsContact CG-NZ 3.27Å; D224-K226 PolarHBondContact O-N 2.93Å; D224-K226 VanDerWaalsContact OD1-CE 3.24Å; D224-K226 WeakPolarHBondContact OD1-CE 3.25Å; D224-K226 IonicContact OD1-NZ 3.04Å; D224-K226 PolarHBondContact OD1-NZ 3.38Å; D224-K226 IonicContact OD2-NZ 2.67Å; D224-K226 PolarHBondContact OD2-NZ 3.03Å
227F43.6Very low42.6Very low203 Ų203151.7 Ų151.789%0.8981%0.812SS**  trans-66141.3162-75.9-100.8000109.1S225S225-F227 PolarHBondContact O-N 3.24Å
228M41.4Very low42.6Very low185 Ų185149 Ų14991%0.91181%0.806SS**  trans-104.1136.6176-63.6169.265.500108.9
229D48.9Very low42Very low135 Ų135144.2 Ų144.272%0.72280%0.797SS**  trans-119.7146.9172.962.2-33000111.6N231D229-N231 PolarHBondContact O-N 3.21Å
230D47.3Very low41.6Very low169 Ų169149 Ų14990%0.90480%0.801SS**SBendtrans-73.821.5-161.9-73.3-54.7000116.1
231N47.1Very low40.9Very low143 Ų143152 Ų15277%0.76581%0.805SS**  trans-128.964.6-177.5-79.5-70.6000112.8D229 K233D229-N231 PolarHBondContact O-N 3.21Å; N231-K233 PolarHBondContact O-N 3.49Å
232G37.3Very low40.9Very low77 Ų77154.1 Ų154.179%0.79480%0.802SS**  trans-5993-174.100000116
233K49.8Very low39.8Very low197 Ų197147.7 Ų147.786%0.85779%0.792SS**  trans-141.4116.8160.4-74.1-170178.9177.70111.3N231N231-K233 PolarHBondContact O-N 3.49Å
234Y37.8Very low39.8Very low241 Ų241151.3 Ų151.395%0.94580%0.798SS**  trans-86.4129.3168.9-68.1-83.5000110.7
235A43.7Very low39.8Very low104 Ų104152 Ų15286%0.8681%0.806SS**  trans-140.1118.5170.500000110.2
236N32.3Very low39.5Very low155 Ų155152.1 Ų152.183%0.82980%0.804SS**  trans-109122.5175.7176.510000109
237S39.6Very low39.2Very low121 Ų121151.4 Ų151.485%0.84680%0.803SS**  trans-16095.4167.5-83.90000113.8
238S34.5Very low38.6Very low100 Ų100151.4 Ų151.470%0.69980%0.797SS**  trans15.1122.2137.6-1520000120.3
239S32.4Very low38.4Very low96 Ų96149 Ų14967%0.67179%0.788SS**  trans53.2112.8133.366.90000121
240R37.5Very low37.5Very low236 Ų236147.9 Ų147.989%0.89178%0.782SS**  trans-152.1167.7134.5-132.7163.4-81.8-158.4-3.5111.5
241H30.2Very low36.9Very low166 Ų166146.9 Ų146.977%0.76977%0.77SS**  trans-145.5123.1-150.9166.6-71.1000111.5
242Y37.5Very low36.3Very low214 Ų214147.9 Ų147.984%0.83976%0.764SS**  trans-145.1142.9166.90.3-90.6000109.9
243S31.9Very low36.1Very low97 Ų97149.1 Ų149.168%0.67876%0.761SS**  trans-118.6145.4179.7174.10000109.7
244L39.6Very low35.7Very low167 Ų167150.9 Ų150.987%0.87476%0.762SS**  trans-166.2134.3152-105156.6000109.2
245V37.1Very low35.7Very low128 Ų128148.1 Ų148.178%0.77676%0.758SS**  trans-144.6124.2-175.5174.80000106.7
246P36.7Very low35.4Very low111 Ų111148.7 Ų148.772%0.72176%0.756SS**  -143.7-1809942.3-26.1000112.1
247E36.3Very low35.3Very low134 Ų134144.4 Ų144.463%0.62675%0.748SS**  cis-153.6173.37.3-144.8176.4145.100111.5
248R32.8Very low35.3Very low204 Ų204151.2 Ų151.277%0.7776%0.756SS**  trans16.4125.5156.9-80.9-178.3-103.6-157.1-2.2118.1
249N35.8Very low35.3Very low134 Ų134150.8 Ų150.872%0.71776%0.758SS**  -167.8148.461.6-1190.2000113.7
250D29.8Very low35.3Very low112 Ų112154.8 Ų154.860%0.59977%0.768SS**  trans42.4130139-85.427.1000124.7
251K35.2Very low35.3Very low148 Ų148150.3 Ų150.364%0.64377%0.767SS**  trans86.8118.1142-67.7170.9179.793.90120.2
252Y34.4Very low35.5Very low163 Ų163147.8 Ų147.864%0.63977%0.768SS**  trans63.887.8159.6-44.4-57.8000118.8
253S32.3Very low35.4Very low104 Ų104146.3 Ų146.373%0.72777%0.769SS**  trans-131.7121.5147.4-176.20000110.6
254W42.4Very low35.3Very low233 Ų233148.9 Ų148.988%0.88378%0.78SS**  trans-126.325.516843.3-70.1000110.5S256W254-S256 PolarHBondContact O-N 3.46Å
255Q37.3Very low34.7Very low183 Ų183145.3 Ų145.386%0.85577%0.774SS**  trans-96.566.2177.5-71.6-173-19.900111.8
256S37.4Very low34.5Very low117 Ų117144.6 Ų144.682%0.81878%0.775SS**  trans-170.8138158.441.90000110.3W254W254-S256 PolarHBondContact O-N 3.46Å
257G30.9Very low34.2Very low65 Ų65145.1 Ų145.167%0.6778%0.776SS**  trans115.749.3171.100000118.1
258W38.5Very low33.9Very low264 Ų264142.5 Ų142.5100%178%0.777SS**  trans-116.424.5158-77.1100000112.7
259A36.2Very low33.8Very low91 Ų91135.3 Ų135.375%0.75276%0.762SS**  trans-87.6145.9160.500000109.1
260M32.1Very low33.6Very low179 Ų179132.9 Ų132.988%0.88275%0.745SS**  trans6875.9179.4-168-171160.800116.6
261V36.7Very low33.8Very low142 Ų142132.7 Ų132.786%0.86175%0.751SS**  trans-144.385.7131.9-173.80000108.3
262S34.9Very low33.7Very low113 Ų113129.1 Ų129.179%0.7974%0.742SS**  trans-14931.2-177.961.20000114.5
263Q35.5Very low33.6Very low184 Ų184126.4 Ų126.486%0.8675%0.746SS**  trans-141.1112.9168.6-68-171.4-1.700110.4
264V29.7Very low34.1Very low150 Ų150130.2 Ų130.291%0.90975%0.752SS**  -172.6112.1114.7161.90000105.9
265A26.9Very low33.6Very low92 Ų92126 Ų12676%0.7675%0.747SS**  trans-158.9149170.700000111.5
266S33.1Very low33.3Very low114 Ų114122.4 Ų122.480%0.79775%0.748SS**  trans81.2151.8166.279.70000120.4
267V30.7Very low33.4Very low122 Ų122121.2 Ų121.274%0.73974%0.74SS**  trans64.8107.9170.2-160.40000116.5
268A30Very low33.8Very low78 Ų78127.7 Ų127.765%0.64575%0.752SS**  cis101.587.623.100000116.6
269A30.7Very low33.6Very low54 Ų54119.2 Ų119.245%0.44674%0.739SS.*  trans60.6169.1167.800000115.5T209 T210 S211T209-A269 CarbonylContact O-C 3.59Å; T209-A269 WeakPolarHBondContact O-CB 2.96Å; T209-A269 VanDerWaalsContact OG1-CB 3.3Å; T209-A269 WeakPolarHBondContact OG1-CB 3.3Å; T210-A269 CarbonylContact C-O 3.5Å; S211-A269 WeakPolarHBondContact CB-O 3.42Å; S211-A269 PolarHBondContact N-O 3.28Å
270K31.6Very low33.7Very low83 Ų83121.2 Ų121.236%0.36174%0.742SS.*  cis-99.7170.217.8-129.9155.1-128-167.60110.1T208 T209 T210T208-K270 HydrophobicContact CG2-CD 3.81Å; T208-K270 VanDerWaalsContact CG2-CE 3.43Å; T208-K270 HydrophobicContact CG2-CG 3.8Å; T208-K270 WeakPolarHBondContact O-CE 3.41Å; T208-K270 PolarHBondContact O-NZ 3.29Å; T208-K270 VanDerWaalsContact OG1-CG 3.25Å; T208-K270 WeakPolarHBondContact OG1-CG 3.17Å; T209-K270 VanDerWaalsContact O-CA 3.26Å; T209-K270 WeakPolarHBondContact O-CA 3.3Å; T209-K270 WeakPolarHBondContact O-CB 3.04Å; T209-K270 WeakPolarHBondContact O-CD 3.18Å; T209-K270 WeakPolarHBondContact O-CE 3.01Å; T209-K270 WeakPolarHBondContact O-CG 3.26Å; T209-K270 PolarHBondContact O-N 2.95Å; T210-K270 HydrophobicContact CG2-CD 4.29Å; T210-K270 WeakPolarHBondContact OG1-CE 3.14Å; T210-K270 PolarHBondContact OG1-NZ 2.89Å
271C33.7Very low34.3Very low107 Ų107121.6 Ų121.672%0.72374%0.742SS**  cis-164.9141.640.9-140.30000113.7
272T31.8Very low34.4Very low74 Ų74122.8 Ų122.845%0.45474%0.735SS.*  trans-68.8152.3151.840.70000110.3T207 T208T207-T272 HydrophobicContact CG2-CG2 3.77Å; T208-T272 PolarHBondContact OG1-OG1 2.95Å
273S34.1Very low34.4Very low106 Ų106123.4 Ų123.474%0.74173%0.734SS**  cis-171.1140.2342.10000110.1
274Q41.8Very low34.6Very low183 Ų183123.7 Ų123.786%0.85573%0.733SS**  trans-158139.7164.2-110163.72.100110.4
275L32.7Very low35.2Very low146 Ų146123.2 Ų123.276%0.76472%0.72SS**  trans49.5100.6162.8-62.4158.6000116.5
276A29.7Very low35.7Very low106 Ų106126.4 Ų126.488%0.87672%0.724SS**  cis67.738.611.600000117.5
277S40Very low35.8Very low92 Ų92126.3 Ų126.364%0.64372%0.719SS**  trans-174.672.2151.658.20000115.2
278Q39.5Very low36.5Very low201 Ų201129 Ų12994%0.93972%0.723SS**  trans-156.643.1163.3-131.516279.800116.2
279A33.9Very low36.9Very low87 Ų87130.6 Ų130.672%0.71973%0.73SS**  trans-85.1174.9160.400000111.1
280T39.4Very low37.2Very low132 Ų132132.2 Ų132.281%0.8173%0.734SS**SBendtrans81.823.4161-26.20000118.8
281Q43.1Very low37.5Very low188 Ų188137 Ų13788%0.87976%0.757SS**SBendtrans-14116.1178-125.7172.919.400119.9
282K38.9Very low37.8Very low166 Ų166140.7 Ų140.772%0.72276%0.764SS**SBendtrans-11913.6169.9-88-73.4172.2-175.10115.6K284 E285K282-K284 PolarHBondContact O-N 2.78Å; K282-E285 IonicContact NZ-OE2 2.64Å; K282-E285 PolarHBondContact NZ-OE2 3.33Å
283T35.4Very low38.3Very low127 Ų127146.7 Ų146.778%0.77978%0.784SS**THydrogen-bonded Turntrans-94.129.2-174.1-23.20000114.3
284K39.1Very low38.6Very low190 Ų190148.5 Ų148.583%0.82679%0.79SS**THydrogen-bonded Turntrans-138.50.8-172.4-78.4-167.1173.5-1750117.2K282K282-K284 PolarHBondContact O-N 2.78Å
285E43.6Very low38.7Very low139 Ų139148.4 Ų148.465%0.6579%0.787SS**SBendtrans-117.48.7-168.4-66.3179.7137.500115.3K282K282-E285 IonicContact NZ-OE2 2.64Å; K282-E285 PolarHBondContact NZ-OE2 3.33Å
286L36.3Very low39.2Very low159 Ų159148.3 Ų148.383%0.83279%0.787SS**SBendtrans-118.614.3173.2-89.4164.3000113.5Q288L286-Q288 VanDerWaalsContact C-N 3.32Å; L286-Q288 PolarHBondContact O-N 3.4Å
287T36.5Very low39.6Very low112 Ų112147.3 Ų147.369%0.68777%0.774SS**SBendtrans-92.116.3-179.9-34.60000112.6
288Q44.5Very low40.1Very low179 Ų179150.7 Ų150.784%0.83679%0.785SS**  trans-140.47.3-168.5-126.8172.23.500117.3L286 V290L286-Q288 VanDerWaalsContact C-N 3.32Å; L286-Q288 PolarHBondContact O-N 3.4Å; Q288-V290 PolarHBondContact O-N 3.03Å; Q288-V290 VanDerWaalsContact O-N 3.08Å
289S37.7Very low40.5Very low112 Ų112148 Ų14878%0.78378%0.775SS**SBendtrans-81.872.6157.861.20000109
290V38.2Very low41.4Very low87 Ų87151.4 Ų151.453%0.52778%0.78SS.*  trans-111145.4-164.71640000111Q288Q288-V290 PolarHBondContact O-N 3.03Å; Q288-V290 VanDerWaalsContact O-N 3.08Å
291Q36.7Very low41.7Very low183 Ų183151 Ų15186%0.85577%0.773SS**SBendtrans60.571166.5-72.4166.8-5400117.9
292E40.1Very low41.8Very low185 Ų185146.3 Ų146.386%0.86476%0.761SS**  trans-154.6164.2136.6-122.3175.6-163.700111.7
293K42.6Very low42Very low201 Ų201145.4 Ų145.487%0.87476%0.764SS**  trans64.240.3-178.7-58.6-171.2176.3-176.60118
294V41.2Very low42.4Very low143 Ų143144 Ų14487%0.86776%0.759SS**  trans-108.785.7159.6-177.40000110.1
295K43.6Very low42.8Very low182 Ų182142.8 Ų142.879%0.79175%0.754SS**  trans168.9129.8172.3-93.6154.1-176-179.70103.3
296D43Very low42.6Very low144 Ų144139.5 Ų139.577%0.7776%0.757SS**  cis-122.1137.621.4-66.4-58.8000111.6
297S38.5Very low42.9Very low85 Ų85137.8 Ų137.859%0.59475%0.753SS**  71.4130.383.9-430000115.1
298N49.5Very low43.1Very low163 Ų163139.2 Ų139.287%0.87276%0.756SS**SBendtrans83.825.5158.1-51.9-14.2000121.8
299I49.2Very low42.8Very low143 Ų143136.9 Ų136.973%0.73376%0.755SS**SBendtrans-125.3-22.7169.6-59.9-177.2000115.1S302I299-S302 PolarHBondContact O-OG 3.07Å
300L51.4Low42.7Very low159 Ų159138.5 Ų138.583%0.83276%0.759SS**SBendtrans-91.9-7.7-172.1-79.2167.9000116.9
301D46.8Very low42.6Very low123 Ų123140.9 Ų140.966%0.65877%0.774SS**SBendtrans-84.7-11-179.4-164.359.3000114K305D301-K305 IonicContact OD2-NZ 3.23Å
302S44.2Very low42.6Very low91 Ų91137.7 Ų137.764%0.63677%0.772SS**SBendtrans-89.5-17.5-177.248.90000114.5I299I299-S302 PolarHBondContact O-OG 3.07Å
303L44.1Very low42.6Very low147 Ų147139.1 Ų139.177%0.7778%0.775SS**SBendtrans-84-15.9178.3-123.172.1000113.7K305L303-K305 PolarHBondContact O-N 3.37Å
304S44.5Very low42.2Very low98 Ų98137.7 Ų137.769%0.68578%0.777SS**THydrogen-bonded Turntrans-83.115.1-175.9-155.60000114.5
305K47.1Very low42Very low164 Ų164139.4 Ų139.471%0.71378%0.775SS**THydrogen-bonded Turntrans-13620.4-174.6-68.3174.2-176.9140.50113.6D301 L303D301-K305 IonicContact OD2-NZ 3.23Å; L303-K305 PolarHBondContact O-N 3.37Å
306G39.1Very low41.3Very low69 Ų69136.9 Ų136.971%0.71178%0.775SS**SBendtrans-119.45.7-171.600000117.1
307V42.7Very low41.1Very low124 Ų124137.2 Ų137.275%0.75278%0.782SS**SBendtrans-112-19-166.8176.50000114.1T309V307-T309 PolarHBondContact O-N 3.22Å
308D39.8Very low40.8Very low142 Ų142142.9 Ų142.976%0.75980%0.796SS**  trans-92.149.2-166-60.4-59.1000115.7
309T38Very low40Very low130 Ų130144 Ų14480%0.79880%0.798SS**SBendtrans-143.723.6179-22.30000118.8V307V307-T309 PolarHBondContact O-N 3.22Å
310V36.5Very low39.4Very low145 Ų145146.9 Ų146.988%0.87981%0.808SS**SBendtrans-134.645.8169.7-157.40000113.5
311T35.2Very low38.6Very low137 Ų137142.5 Ų142.584%0.8480%0.802SS**  trans-136.447.1-175.7-36.20000113.9
312S37.2Very low38.1Very low116 Ų116145 Ų14581%0.81181%0.813SS**  trans-156.434.4-17956.20000117.1
313K40.8Very low37.7Very low216 Ų216152 Ų15294%0.93983%0.826SS**  trans-131.245.3168-72.8-165.3176.9-179.90114.6
314L33.4Very low37.3Very low171 Ų171149.6 Ų149.690%0.89582%0.821SS**  trans-94.190.6166.1-179.970.8000110.3
315Q36.3Very low36.8Very low179 Ų179154.3 Ų154.384%0.83683%0.83SS**  trans-165135.1154.4-115.3169.310.700113.3
316T30Very low36.3Very low129 Ų129155.6 Ų155.679%0.79184%0.838SS**  trans70.267.3153.7-38.70000119.1
317V38.9Very low36.3Very low151 Ų151156.8 Ų156.892%0.91584%0.836SS**  trans-128.2146140-176.10000108.1
318K32.7Very low36.1Very low203 Ų203160 Ų16088%0.88384%0.836SS**  trans-78.4153.3-163.1-80.1-179.2174.3176.80115.2
319M32.9Very low35.9Very low186 Ų186164.8 Ų164.892%0.91684%0.843SS**  trans-61.1136.9167.7-58.7-178.3-170.900112.7
320Q35.6Very low35.8Very low204 Ų204164.7 Ų164.795%0.95384%0.843SS**  trans-176.5137.4133.6-103162.2-19.700109
321G35Very low36Very low68 Ų68163.5 Ų163.570%0.70184%0.841SS**  trans151.7-47.2171.500000116.5R323G321-R323 PolarHBondContact O-N 3.06Å
322I36.1Very low36.1Very low174 Ų174164.7 Ų164.789%0.89284%0.842SS**  trans-89.871.3-169.7-38.9178000111.6
323R35Very low36.2Very low240 Ų240163.9 Ų163.991%0.90683%0.834SS**SBendtrans-148.654.5173.3-72.8-164.8176-171.2-1.7112.7G321G321-R323 PolarHBondContact O-N 3.06Å
324S35.7Very low36Very low96 Ų96162.7 Ų162.767%0.67183%0.832SS**SBendtrans-153-8.2178.3-48.60000116.8
325F35Very low36.3Very low197 Ų197159.4 Ų159.486%0.86482%0.823SS**SBendtrans-98.6-6.4-169.3-159.8-109.2000114.6
326E36.8Very low36.4Very low191 Ų191157.3 Ų157.389%0.89382%0.818SS**SBendtrans-104.712.2-165.7-153.5163.3-146.300113.5
327S38.4Very low36.7Very low94 Ų94159.2 Ų159.266%0.65782%0.822SS**SBendtrans-128.527-171.469.60000114.3
328Y39.4Very low36.6Very low192 Ų192157.7 Ų157.775%0.75382%0.818SS**SBendtrans-125.5-0.9-170.9-106.6-75.6000116.1
329W35.2Very low36.8Very low241 Ų241156 Ų15691%0.91382%0.819SS**SBendtrans-136.518.5-170.6-79.5102.6000115.5
330T36.2Very low37Very low129 Ų129150.6 Ų150.679%0.79181%0.811SS**  trans-140.277.6-173.618.10000113.3
331S40Very low37Very low119 Ų119148.3 Ų148.383%0.83281%0.805SS**  trans-157.598.7160.459.10000110.4
332N38.2Very low37.4Very low163 Ų163150.1 Ų150.187%0.87281%0.807SS**  trans-90.2159.1169.5-13538.3000109.6
333P39Very low37.5Very low98 Ų98147.5 Ų147.564%0.63680%0.795SS**  trans-96.2-174.4-161.438.4-37.1000115.2
334E36.6Very low37.7Very low192 Ų192144.1 Ų144.190%0.89779%0.787SS**  trans80.2137.7172.8-53.3-177.2147.400114.7
335S40.3Very low37.8Very low102 Ų102144 Ų14471%0.71379%0.786SS**  cis-146-160.56.860.40000113.5
336D37.9Very low37.9Very low135 Ų135145.4 Ų145.472%0.72279%0.787SS**  trans89.176.9157-60.45.6000121.9
337L36.2Very low38Very low168 Ų168140.1 Ų140.188%0.8878%0.783SS**  34.8104.6117.5-65.5163.4000121
338S37.3Very low37.9Very low119 Ų119140.6 Ų140.683%0.83279%0.787SS**  170.2119.312840.60000110.6
339N35.8Very low37.8Very low168 Ų168136.9 Ų136.990%0.89878%0.784SS**  79103.277.6-168.139.2000114.4
340G36.4Very low37.7Very low73 Ų73133 Ų13375%0.75378%0.781SS**  trans177141.2176.700000111.9
341N35.7Very low37.5Very low156 Ų156138.1 Ų138.183%0.83479%0.787SS**  trans-126.4161.4-166.4-115.2-28.4000112.6
342S43.7Very low37.2Very low106 Ų106136.7 Ų136.774%0.74178%0.777SS**  trans69.5155.4159.481.30000117.2
343D38.3Very low37.5Very low118 Ų118137.2 Ų137.263%0.63178%0.78SS**  cis-157.8174.5-9.4-130.6-9.1000113.1
344K40.5Very low37.1Very low169 Ų169142 Ų14274%0.73579%0.786SS**  trans-15.6159.5163.3-45.7153.1-175.975.30118.1
345S36.3Very low37.1Very low93 Ų93139.6 Ų139.665%0.6577%0.774SS**  cis-177.316636.674.50000116.9
346Y37.9Very low37.1Very low228 Ų228143 Ų14389%0.89478%0.779SS**  trans58.7120.3148.2-61.9-55.6000127.3
347G38.4Very low37Very low79 Ų79141.7 Ų141.781%0.81477%0.772SS**  94.6161.2128.500000119.9
348S36.8Very low37Very low105 Ų105143.4 Ų143.473%0.73477%0.767SS**  cis-166.5143.7-28.3-173.50000112.1
349T37Very low37Very low114 Ų114142.9 Ų142.970%0.69976%0.763SS**  trans51.6115.5153.143.20000123.2
350L32.5Very low37.1Very low160 Ų160140.5 Ų140.584%0.83876%0.76SS**  50.7127.9128.5-60.4170.2000121.9
351Y32.9Very low37Very low235 Ų235142.1 Ų142.192%0.92276%0.759SS**  -156167.9125.5-126.6-87.8000112.1
352S32.6Very low37.2Very low89 Ų89143.2 Ų143.262%0.62276%0.762SS**  trans-105.6167-169.4530000114.8
353N44.9Very low36.8Very low175 Ų175147 Ų14794%0.93677%0.765SS**  trans-136.1149.4164.6-91-45.1000110.2
354R32.2Very low36.7Very low199 Ų199148.4 Ų148.475%0.75177%0.772SS**  trans-158.9153.6-163.5175.6-179.6158.3151.43.4111.7
355E36Very low36.3Very low140 Ų140147 Ų14765%0.65477%0.772SS**  trans65.6139.1170.4-79.1145.517200116.5
356Q39.2Very low36.4Very low173 Ų173152.7 Ų152.781%0.80878%0.779SS**  -154.9152.353.9-74.2175.9-20.300114.3
357D36.8Very low36.4Very low109 Ų109149.6 Ų149.658%0.58377%0.773SS**  trans52.4144.1137.7-66.42.1000122.1
358R36.8Very low36.2Very low203 Ų203152.2 Ų152.277%0.76677%0.767SS**  cis-164.1156.14.7-122.8170-133.2-175.56.7111.3
359S37.3Very low36.3Very low108 Ų108156 Ų15676%0.75577%0.773SS**  trans50.7140.1144.3-65.30000121.4
360S38Very low36Very low119 Ų119158.9 Ų158.983%0.83278%0.779SS**  cis-151.7162.74.4-86.60000111
361S32.8Very low36.1Very low106 Ų106154.7 Ų154.774%0.74177%0.774SS**  trans-92.4155.9179.452.50000114
362M40.4Very low36.1Very low180 Ų180149.9 Ų149.989%0.88777%0.769SS**  trans-148.6145.6137.1-75.1-152-17600111.6
363F35.8Very low36.2Very low185 Ų185153.1 Ų153.181%0.81178%0.78SS**  trans-27.2158.3167.3-54.6-87.9000117.4
364L35.3Very low35.6Very low148 Ų148149.8 Ų149.878%0.77577%0.77SS**  cis-157.2158.740.3-167.170.8000113.2
365D33Very low35.8Very low138 Ų138149.2 Ų149.274%0.73877%0.773SS**  trans-103.5141.4176.5-175.32.7000111.9
366R36.9Very low35.8Very low213 Ų213149 Ų14980%0.80478%0.777SS**  trans-160.988.8171.6-166.784.482.1178.25.4113.7
367H39.4Very low35.3Very low163 Ų163147 Ų14776%0.75578%0.776SS**  trans44.8133132.4-102.8-94.2000122.6
368L33.3Very low35.5Very low134 Ų134147.2 Ų147.270%0.70279%0.787SS**  trans-58.6142.4161.4-82.761.9000112.6
369Q39.1Very low35.3Very low184 Ų184146.8 Ų146.886%0.8679%0.794SS**  trans-144.6139.5146.4-138.981.566.500109.1
370H32Very low35.2Very low175 Ų175145 Ų14581%0.8179%0.793SS**  trans-88137.1174.5-63-100.1000109.7
371G33.8Very low35.1Very low72 Ų72149.5 Ų149.574%0.74280%0.797SS**  trans-140.7112.1174.600000110.5
372T32.3Very low34.8Very low134 Ų134148.5 Ų148.582%0.82280%0.804SS**  trans-103.7113.6171.149.90000108.5
373D34.9Very low34.5Very low157 Ų157144.5 Ų144.584%0.8480%0.799SS**  trans-126.1132.8171.3-85.8-57000110.8
374S31.6Very low34.4Very low106 Ų106140.9 Ų140.974%0.74180%0.797SS**  trans-114.5130.2-173.4-59.60000109.3
375F36.9Very low34.2Very low186 Ų186142.5 Ų142.582%0.81681%0.805SS**  trans-131.297.3171.7-103.8-86.3000114
376N35.6Very low34.2Very low135 Ų135140.5 Ų140.572%0.72280%0.802SS**  trans51.5104.7139-59.6-10.9000120.1
377T30.5Very low33.8Very low131 Ų131138.3 Ų138.380%0.80481%0.807SS**  trans-50.3142.9150.5-42.10000112.6E379T377-E379 HydrophobicContact CG2-CG 4.34Å
378S40.3Very low33.7Very low115 Ų115135.6 Ų135.680%0.80480%0.801SS**  trans-141126.8151.361.40000109.6
379E31.5Very low33.5Very low194 Ų194135 Ų13591%0.90780%0.799SS**  trans-81.3141.5-171.4-58.7176.9119.100112.4T377T377-E379 HydrophobicContact CG2-CG 4.34Å
380G35.2Very low33.3Very low71 Ų71135.2 Ų135.273%0.73279%0.792SS**  trans-142.217.9-16000000118.6
381K35.9Very low33.2Very low212 Ų212131.8 Ų131.892%0.92278%0.78SS**  trans59.2106.9173.5-57.7175.4-177.61750116.2
382G28Very low33Very low86 Ų86135.1 Ų135.189%0.88778%0.78SS**  trans-73.3150169.600000113.3
383A34.1Very low32.9Very low96 Ų96135.3 Ų135.379%0.79378%0.776SS**  trans-130121.8171.800000110.6L385A383-L385 PolarHBondContact O-N 3.33Å
384S32.8Very low33Very low109 Ų109135.5 Ų135.576%0.76277%0.772SS**  trans-35123.2175.6-179.20000115.4S386S384-S386 PolarHBondContact O-N 2.69Å
385L30.9Very low33.1Very low182 Ų182134.6 Ų134.695%0.95376%0.763SS**  trans-80.3100.6160.2-72.1173.5000109.1A383A383-L385 PolarHBondContact O-N 3.33Å
386S33.9Very low33.3Very low96 Ų96129.6 Ų129.667%0.67175%0.75SS**  trans-95.1143.4171.848.60000111.9S384 T388S384-S386 PolarHBondContact O-N 2.69Å; S386-T388 PolarHBondContact O-N 3.39Å
387N27.4Very low33.1Very low167 Ų167130 Ų13089%0.89375%0.752SS**  trans-53.8134.3176.4-76.5-27.4000112.1
388T38.2Very low33.8Very low105 Ų105128 Ų12864%0.64473%0.73SS**  trans-119.8127.4154.147.50000109.7S386 W390S386-T388 PolarHBondContact O-N 3.39Å; T388-W390 VanDerWaalsContact CB-NE1 3.34Å; T388-W390 PolarHBondContact OG1-NE1 3.1Å
389N29Very low33.5Very low123 Ų123128 Ų12866%0.65872%0.721SS**  trans-96.4115.4-179.8173.919.8000108.4
390W34.4Very low33.7Very low187 Ų187125.4 Ų125.471%0.70871%0.712SS**  trans-105.595.3-174.2-70.485.5000111.3T388T388-W390 VanDerWaalsContact CB-NE1 3.34Å; T388-W390 PolarHBondContact OG1-NE1 3.1Å
391N31Very low33.5Very low103 Ų103126.3 Ų126.355%0.55171%0.707SS**  trans-82.8130.2168.9-90.9-37.7000110.5
392N28.2Very low33.5Very low142 Ų142122.3 Ų122.376%0.75970%0.696SS**SBendtrans55.5126.2145-55.9-22.3000120.4
393N30.9Very low33.8Very low138 Ų138125.7 Ų125.774%0.73869%0.694SS**  trans74.252.9148.4-154.979000117.9
394E37.7Very low34.1Very low162 Ų162128.5 Ų128.576%0.75769%0.69SS**  trans-91.7109.4157-67.8-175.1165.300110C396E394-C396 PolarHBondContact O-N 3.11Å
395T33.2Very low33.9Very low87 Ų87126.3 Ų126.353%0.53469%0.685SS.*  trans-71.8117.4166.8430000109.2D397T395-D397 PolarHBondContact O-N 3.43Å
396C39.7Very low34.4Very low81 Ų81130.2 Ų130.255%0.54769%0.687SS.*  trans-77.4114.3174.540.80000110.7E394E394-C396 PolarHBondContact O-N 3.11Å
397D32.2Very low34.3Very low144 Ų144128.6 Ų128.677%0.7769%0.686SS**  trans-73137.4-179.9-149.8-15.7000110.9T395T395-D397 PolarHBondContact O-N 3.43Å
398W44.7Very low34.6Very low87 Ų87125.3 Ų125.333%0.3368%0.676SS.*  trans-109.267.2-177.8-74.699.8000110.2L400W398-L400 PolarHBondContact O-N 3.15Å; W398-L400 VanDerWaalsContact O-N 3.12Å
399D34.7Very low34.6Very low115 Ų115128.3 Ų128.362%0.61569%0.687SS**  trans-57.8117.8176.7-163.6-19.7000110.4S401D399-S401 WeakPolarHBondContact OD1-CA 3.18Å; D399-S401 WeakPolarHBondContact OD1-CB 3.46Å; D399-S401 PolarHBondContact OD1-N 3.31Å; D399-S401 PolarHBondContact OD1-OG 3.2Å
400L35.5Very low35Very low141 Ų141128.2 Ų128.274%0.73869%0.686SS**  trans-96.89.5178.7-95149.8000111.8W398W398-L400 PolarHBondContact O-N 3.15Å; W398-L400 VanDerWaalsContact O-N 3.12Å
401S31.2Very low35.1Very low89 Ų89127.2 Ų127.262%0.62270%0.695SS**  trans-122.566.1-175.460.40000113.8D399D399-S401 WeakPolarHBondContact OD1-CA 3.18Å; D399-S401 WeakPolarHBondContact OD1-CB 3.46Å; D399-S401 PolarHBondContact OD1-N 3.31Å; D399-S401 PolarHBondContact OD1-OG 3.2Å
402N35.6Very low35.5Very low129 Ų129130.2 Ų130.269%0.6971%0.71SS**  trans-142.1105.5152.1-119.1-35.3000112.2H404N402-H404 PolarHBondContact O-N 3.3Å; N402-H404 VanDerWaalsContact O-N 3.15Å
403D34.2Very low35.7Very low156 Ų156128.4 Ų128.483%0.83471%0.709SS**  trans-81.889.5-179-1733.3000110.2
404H41.3Very low36Very low155 Ų155134.4 Ų134.472%0.71872%0.722SS**  trans-122.664.6179.9-76.34.5000111.8N402N402-H404 PolarHBondContact O-N 3.3Å; N402-H404 VanDerWaalsContact O-N 3.15Å
405G28.2Very low35.9Very low64 Ų64131.4 Ų131.466%0.6672%0.718SS**  trans59.872141.300000117.6G407G405-G407 PolarHBondContact O-N 2.96Å
406W41.2Very low36.1Very low263 Ų263133.7 Ų133.7100%0.99673%0.732SS**  trans-7279158.2-72.792.1000110
407G30.8Very low35.9Very low62 Ų62136.2 Ų136.264%0.63975%0.746SS**  trans-64.6137.3175.200000111.7G405 I409G405-G407 PolarHBondContact O-N 2.96Å; G407-I409 PolarHBondContact O-N 3.39Å
408S33.6Very low36Very low99 Ų99135.9 Ų135.969%0.69275%0.749SS**  trans-57.7125168.2-67.50000110.1D410S408-D410 VanDerWaalsContact C-N 3.31Å; S408-D410 WeakPolarHBondContact CB-OD2 3.24Å; S408-D410 PolarHBondContact O-N 3.24Å
409I38.4Very low35.6Very low168 Ų168135.2 Ų135.286%0.86277%0.769SS**  trans-89.384.3152.9-61.3179.9000105.6G407G407-I409 PolarHBondContact O-N 3.39Å
410D39.1Very low35.5Very low120 Ų120134.2 Ų134.264%0.64279%0.785SS**  trans-69.9156.7164.8-74.6-59.2000109.8S408 D412S408-D410 VanDerWaalsContact C-N 3.31Å; S408-D410 WeakPolarHBondContact CB-OD2 3.24Å; S408-D410 PolarHBondContact O-N 3.24Å; D410-D412 PolarHBondContact O-N 2.81Å
411N36.5Very low35.5Very low167 Ų167131 Ų13189%0.89379%0.787SS**  trans-80.583.4-169.6-69-83.8000112.4
412D38.9Very low35.6Very low165 Ų165134.6 Ų134.688%0.88280%0.799SS**  trans-85.2121168.4-95.8-41.3000112.5D410D410-D412 PolarHBondContact O-N 2.81Å
413S33.1Very low35.8Very low104 Ų104134.6 Ų134.673%0.72781%0.809SS**  trans-78.5130.5-179.3-168.70000111.1S415S413-S415 PolarHBondContact O-N 2.67Å; S413-S415 PolarHBondContact O-OG 3.04Å
414W35.7Very low35.8Very low265 Ų265138.5 Ų138.5100%1.00481%0.812SS**  trans-65.797.8-178-145.6-17.4000110.9
415S36.7Very low35.8Very low98 Ų98138.3 Ų138.369%0.68582%0.822SS**  trans-142.1147.5175.659.60000111S413S413-S415 PolarHBondContact O-N 2.67Å; S413-S415 PolarHBondContact O-OG 3.04Å
416T36.1Very low36.3Very low135 Ų135141.3 Ų141.383%0.82883%0.827SS**PPolyproline II helixtrans-85.9131-154-40.70000113.6T418T416-T418 PolarHBondContact O-N 2.86Å
417T36.3Very low36.2Very low135 Ų135137.4 Ų137.483%0.82883%0.825SS**PPolyproline II helixtrans-57.7128.8171.5-47.70000111.5
418T33.5Very low36.7Very low137 Ų137138.3 Ų138.384%0.8483%0.827SS**PPolyproline II helixtrans-81.3130.4-173.943.60000113.2T416T416-T418 PolarHBondContact O-N 2.86Å
419G37.6Very low37.1Very low73 Ų73143.3 Ų143.375%0.75384%0.836SS**PPolyproline II helixtrans-100.1135.2163.800000110.5
420G32Very low37.4Very low93 Ų93144.3 Ų144.396%0.95984%0.837SS**PPolyproline II helixtrans-54.1139.7-163.100000117.6
421G35.8Very low37.5Very low74 Ų74143.6 Ų143.676%0.76384%0.841SS**  trans-150.9132.117100000111.2
422N33.6Very low38.3Very low165 Ų165142.5 Ų142.588%0.88284%0.84SS**  trans-74.9139.1-170.3-61.9-35.1000113.7
423S39.9Very low38.4Very low129 Ų129139.4 Ų139.490%0.90283%0.827SS**  -174.3161.2127.5-86.60000113.9
424R34Very low38.6Very low238 Ų238145 Ų14590%0.89883%0.833SS**  trans-90.8143.5-176.9-59.7167.2172.6156.8-5.9112.2
425T40.6Very low39.3Very low150 Ų150141.5 Ų141.592%0.9283%0.827SS**  -162.1156.8126.315.40000110.9
426T38.2Very low39.4Very low127 Ų127144 Ų14478%0.77983%0.833SS**  trans-130.6135.3-173.650.90000111.6
427L40.3Very low40.2Very low181 Ų181143.4 Ų143.495%0.94883%0.833SS**  trans165.5163.5158.2-91.9152000107.5
428A40.5Very low40.4Very low81 Ų81145.5 Ų145.567%0.66983%0.831SS**  -161.6150.7-59.800000108.2
429K41.4Very low41.1Very low204 Ų204144.3 Ų144.389%0.88783%0.829SS**  trans7.7132.5165.2-59175.5178.9178.90119.5
430E45.5Very low41.6Very low190 Ų190147.2 Ų147.289%0.88882%0.823SS**  -160.1170.2112.3-120.1179.5152.800113.4
431S40.9Very low42.6Very low105 Ų105149 Ų14973%0.73481%0.81SS**  trans-151.9129.7-175.158.90000110.7
432V53.1Low43.3Very low143 Ų143152.5 Ų152.587%0.86781%0.811SS**  trans-125.3150.5-175.8-178.90000111
433V41.6Very low43.8Very low100 Ų100147.6 Ų147.661%0.60680%0.8SS**  trans-138.6129.9-159.4170.60000112.3
434R37.7Very low44.3Very low223 Ų223152.9 Ų152.984%0.84280%0.802SS**  trans60.1144.3163.6-67.1166.1-170.3142.71.2119
435H49Very low44.9Very low191 Ų191148 Ų14888%0.88479%0.794SS**  -159134.7126.9-114.7-78.4000111
436D40.1Very low45.3Very low151 Ų151152.8 Ų152.881%0.80780%0.795SS**  trans-101.4161171.1-94-60.5000110.8
437S51.6Low45.7Very low121 Ų121158 Ų15885%0.84680%0.8SS**  trans-154.9144.9170.6-73.60000112.5
438K41.7Very low46.3Very low179 Ų179155 Ų15578%0.77879%0.794SS**  trans-110.8153.4-172.4-67.4176.5163.4-166.10114.3E440K438-E440 IonicContact NZ-OE1 2.61Å; K438-E440 PolarHBondContact NZ-OE1 2.87Å
439S47.4Very low47Very low113 Ų113162.4 Ų162.479%0.7981%0.805SS**  trans-167.2124.9137.150.30000107.6
440E48.6Very low47.6Very low134 Ų134161.5 Ų161.563%0.62680%0.801SS**  cis67.299.247.8-59.4-174.2-170.300112.5K438K438-E440 IonicContact NZ-OE1 2.61Å; K438-E440 PolarHBondContact NZ-OE1 2.87Å
441N52.3Low48.3Very low131 Ų131159.8 Ų159.870%0.70180%0.798SS**  -171.1163.282.6-99.7-79.1000115.8
442N50.7Low49Very low146 Ų146164.4 Ų164.478%0.78183%0.83SS**  trans18.3135.9152.3-51.3-38.2000121
443G43.9Very low48.8Very low63 Ų63165.5 Ų165.565%0.64983%0.828SS**  cis108.41352.800000114.3
444Y50.9Low49.2Very low240 Ų240168.9 Ų168.994%0.94184%0.84SS**  trans-155.4153.3161.3-119.5-78.9000113.5
445N46.9Very low49.8Very low135 Ų135165.9 Ų165.972%0.72284%0.84SS**  trans-90.1152.4-170-94.4-65.3000115.2
446R48.4Very low49.8Very low251 Ų251164.4 Ų164.495%0.94784%0.837SS**  -166.3105.5121.9-106166.4-169.3-166.63.2113.3
447R47.8Very low50.4Low236 Ų236165.3 Ų165.389%0.89184%0.839SS**  trans-82.7143.5158.8-74.2178.7171.1175.4-3.3109.6
448S51.5Low50.4Low117 Ų117168.2 Ų168.282%0.81884%0.839SS**  trans-164.4111.1145.7-1720000112
449R56.9Low51Low238 Ų238167.4 Ų167.490%0.89884%0.843SS**  trans-165.4110.4150.2-111170.1-170.4-170.91.9110.6
450K54.4Low51.3Low185 Ų185171.6 Ų171.680%0.80485%0.847SS**  trans24127.8143.1-53.7-176.8174.2-170.40119
451N58.9Low51.5Low153 Ų153174.8 Ų174.882%0.81887%0.865SS**  -174147.9102.7-91.2-8000111.3
452S55.5Low51.4Low202 Ų202178.7 Ų178.7100%1.41388%0.88SS**  trans63.20-172.5-61.30000115.7

Retrieved 452 of 452 residues in 107.6 ms (Link to these results)

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